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

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

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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=NC=CC=N4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6O2/c28-19(24-17-4-6-18(7-5-17)27-11-1-3-20(27)29)8-12-25-13-15-26(16-14-25)21-22-9-2-10-23-21/h2,4-7,9-10H,1,3,8,11-16H2,(H,24,28)/p+1