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

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-14-5-7-17(8-6-14)20-18(25)13-21(4)19(26)15(2)22-9-11-23(12-10-22)16(3)24/h5-8,15H,9-13H2,1-4H3,(H,20,25)/p+1/t15-/m0/s1