1-methyl-N2,N5-bis[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-N2,N5-bis(3-phenylpropyl)pyridin-1-ium-2,5-dicarboxamide iodide

Systemtic Name: 1-methyl-N2,N5-bis[(2S)-3-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]-N2,N5-bis(3-phenylpropyl)pyridin-1-ium-2,5-dicarboxamide iodide Openeye Name: 1-methyl-N2,N5-bis[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]-N2,N5-bis(3-phenylpropyl)pyridin-1-ium-2,5-dicarboxamide iodide CAS Name: 1-methyl-N2,N5-bis[(2S)-3-methyl-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]-N2,N5-bis(3-phenylpropyl)pyridin-1-ium-2,5-dicarboxamide iodide IUPAC Name: 1-methyl-2-N,5-N-bis[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-N,5-N-bis(3-phenylpropyl)pyridin-1-ium-2,5-dicarboxamide iodide Traditional Name: 1-methyl-N,N'-bis[(1S)-2-methyl-1-(pyrrolidine-1-carbonyl)propyl]-N,N'-bis(3-phenylpropyl)pyridin-1-ium-2,5-dicarboxamide iodide Formula: C44H60IN5O4 MolecularWeight: 849.88277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1)N(CCCC2=CC=CC=C2)C(=O)C3=C[N+](=C(C=C3)C(=O)N(CCCC4=CC=CC=C4)C(C(C)C)C(=O)N5CCCC5)C.[I-]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCC1)N(CCCC2=CC=CC=C2)C(=O)C3=C[N+](=C(C=C3)C(=O)N(CCCC4=CC=CC=C4)[C@@H](C(C)C)C(=O)N5CCCC5)C.[I-]

InChI

InChI=1S/C44H60N5O4.HI/c1-33(2)39(43(52)46-26-12-13-27-46)48(30-16-22-35-18-8-6-9-19-35)41(50)37-24-25-38(45(5)32-37)42(51)49(31-17-23-36-20-10-7-11-21-36)40(34(3)4)44(53)47-28-14-15-29-47;/h6-11,18-21,24-25,32-34,39-40H,12-17,22-23,26-31H2,1-5H3;1H/q+1;/p-1/t39-,40-;/m0./s1