N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H29N5O2+2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H27N5O2/c24-17(20-8-4-10-23-9-3-6-18(23)25)15-21-11-13-22(14-12-21)16-5-1-2-7-19-16/h1-2,5,7H,3-4,6,8-15H2,(H,20,24)/p+2