(2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]propionamide Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C25H34N4O2/c1-19-9-11-23(12-10-19)26-24(30)18-27(4)25(31)21(3)29-15-13-28(14-16-29)17-22-8-6-5-7-20(22)2/h5-12,21H,13-18H2,1-4H3,(H,26,30)/p+2/t21-/m0/s1