N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H29N5O2+2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N5O2/c1-17-6-8-18(9-7-17)23-20(27)15-24(2)21(28)16-25-11-13-26(14-12-25)19-5-3-4-10-22-19/h3-10H,11-16H2,1-2H3,(H,23,27)/p+2