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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c22-18-6-4-17(5-7-18)10-12-24-20(27)8-9-21(28)26-15-13-25(14-16-26)19-3-1-2-11-23-19/h1-7,11H,8-10,12-16H2,(H,24,27)/p+1