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

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(4-methoxyphenyl)methylcarbamoyl]-2-methyl-propyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(p-anisylcarbamoyl)propyl]-1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotamide Formula: C24H37N4O4+ MolecularWeight: 445.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)C(=O)C3CCC[NH2+]3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C24H36N4O4/c1-16(2)21(23(30)26-15-17-6-8-19(32-3)9-7-17)27-22(29)18-10-13-28(14-11-18)24(31)20-5-4-12-25-20/h6-9,16,18,20-21,25H,4-5,10-15H2,1-3H3,(H,26,30)(H,27,29)/p+1/t20-,21-/m0/s1