4-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-butanamide CAS Name: 4-(4-ethylphenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxobutanamide IUPAC Name: 4-(4-ethylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxobutanamide Traditional Name: 4-(4-ethylphenyl)-4-keto-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O2/c1-3-17-4-6-18(7-5-17)20(27)9-11-22(28)24-19-8-10-21(23-16-19)26-14-12-25(2)13-15-26/h4-8,10,16H,3,9,11-15H2,1-2H3,(H,24,28)/p+1