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

Systemtic Name: N-[(2S)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(4-ethylphenyl)carbamoyl]-2-methyl-propyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-ethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-ethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-[(4-ethylphenyl)carbamoyl]-2-methyl-propyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotamide Formula: C24H37N4O3+ MolecularWeight: 429.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(=O)C3CCC[NH2+]3

Isomeric SMILES

CCC1=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/C24H36N4O3/c1-4-17-7-9-19(10-8-17)26-23(30)21(16(2)3)27-22(29)18-11-14-28(15-12-18)24(31)20-6-5-13-25-20/h7-10,16,18,20-21,25H,4-6,11-15H2,1-3H3,(H,26,30)(H,27,29)/p+1/t20-,21-/m0/s1