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

Systemtic Name: (2S)-N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(2-ethylanilino)-2-oxo-ethyl]-N-methyl-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(2-ethylanilino)-2-keto-ethyl]-N-methyl-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2/c1-4-23-12-8-9-13-24(23)27-25(31)20-28(3)26(32)21(2)30-18-16-29(17-19-30)15-14-22-10-6-5-7-11-22/h5-13,21H,4,14-20H2,1-3H3,(H,27,31)/p+1/t21-/m0/s1