(2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H24N4O3/c1-12-4-6-14(7-5-12)19-16(23)10-20(3)17(24)13(2)21-9-8-18-15(22)11-21/h4-7,13H,8-11H2,1-3H3,(H,18,22)(H,19,23)/p+1/t13-/m0/s1