N-(4-methoxyphenyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-(4-methoxyphenyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(4-methoxyphenyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(4-methoxyphenyl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(4-methoxyphenyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-(4-methoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H24N4O3/c1-27-17-7-5-16(6-8-17)22-19(25)9-10-20(26)24-14-12-23(13-15-24)18-4-2-3-11-21-18/h2-8,11H,9-10,12-15H2,1H3,(H,22,25)/p+1