N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H30N4O2/c26-20(23-13-11-18-6-2-1-3-7-18)9-10-21(27)25-16-14-24(15-17-25)19-8-4-5-12-22-19/h4-6,8,12H,1-3,7,9-11,13-17H2,(H,23,26)/p+1