methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-methyl-ammonium Formula: C22H31N5O2+2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-18-6-8-19(9-7-18)24-21(28)17-25(2)12-10-22(29)27-15-13-26(14-16-27)20-5-3-4-11-23-20/h3-9,11H,10,12-17H2,1-2H3,(H,24,28)/p+2