N-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-(3-chloro-4-methylphenyl)-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)Cl

InChI

InChI=1S/C20H23ClN4O2/c1-15-5-6-16(14-17(15)21)23-19(26)7-8-20(27)25-12-10-24(11-13-25)18-4-2-3-9-22-18/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,26)/p+1