(1-oxidanidylpyridin-1-ium-4-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-4-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-4-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone CAS Name: (1-oxido-4-pyridin-1-iumyl)-[(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-4-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]methanone Traditional Name: (1-oxidopyridin-1-ium-4-yl)-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]methanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C23H29N3O2/c27-23(21-10-16-26(28)17-11-21)25-15-9-22(18-25)20-7-13-24(14-8-20)12-6-19-4-2-1-3-5-19/h1-5,10-11,16-17,20,22H,6-9,12-15,18H2/p+1/t22-/m0/s1