N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C22H29N5O2+2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H27N5O2/c28-21(24-18-6-8-19(9-7-18)27-12-3-5-22(27)29)10-13-25-14-16-26(17-15-25)20-4-1-2-11-23-20/h1-2,4,6-9,11H,3,5,10,12-17H2,(H,24,28)/p+2