(2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N6O2/c1-16-5-7-18(8-6-16)24-19(28)15-25(3)20(29)17(2)26-11-13-27(14-12-26)21-22-9-4-10-23-21/h4-10,17H,11-15H2,1-3H3,(H,24,28)/p+1/t17-/m0/s1