N-[(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(p-tolylcarbamoyl)propyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(p-tolylcarbamoyl)propyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotamide Formula: C23H35N4O3+ MolecularWeight: 415.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(=O)C3CCC[NH2+]3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C23H34N4O3/c1-15(2)20(22(29)25-18-8-6-16(3)7-9-18)26-21(28)17-10-13-27(14-11-17)23(30)19-5-4-12-24-19/h6-9,15,17,19-20,24H,4-5,10-14H2,1-3H3,(H,25,29)(H,26,28)/p+1/t19-,20-/m0/s1