N-[(1-butyl-1-methyl-piperidin-1-ium-3-yl)methyl]-1-[4-oxidanyl-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-butyl-1-methyl-piperidin-1-ium-3-yl)methyl]-1-[4-oxidanyl-1-(3,3,3-triphenylpropanoyl)pyrrolidin-2-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(1-butyl-1-methyl-piperidin-1-ium-3-yl)methyl]-1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-butyl-1-methyl-3-piperidin-1-iumyl)methyl]-1-[[4-hydroxy-1-(1-oxo-3,3,3-triphenylpropyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-butyl-1-methylpiperidin-1-ium-3-yl)methyl]-1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-butyl-1-methyl-piperidin-1-ium-3-yl)methyl]-1-[4-hydroxy-1-(3,3,3-triphenylpropanoyl)prolyl]pyrrolidine-2-carboxamide Formula: C42H55N4O4+ MolecularWeight: 679.9105

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCC(C1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)C

Isomeric SMILES

CCCC[N+]1(CCCC(C1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)C

InChI

InChI=1S/C42H54N4O4/c1-3-4-25-46(2)26-15-16-32(31-46)29-43-40(49)37-23-14-24-44(37)41(50)38-27-36(47)30-45(38)39(48)28-42(33-17-8-5-9-18-33,34-19-10-6-11-20-34)35-21-12-7-13-22-35/h5-13,17-22,32,36-38,47H,3-4,14-16,23-31H2,1-2H3/p+1