(3S)-N-(2-methyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl)-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-methyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl)-6-oxidanylidene-1-phenethyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,1-dimethyl-2-pyrrolidin-1-ium-1-yl-ethyl)-6-oxo-1-phenethyl-piperidine-3-carboxamide CAS Name: (3S)-N-[2-methyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]-6-oxo-1-phenethyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-methyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl)-6-oxo-1-phenethylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,1-dimethyl-2-pyrrolidin-1-ium-1-yl-ethyl)-6-keto-1-phenethyl-nipecotamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC1)NC(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]2CCC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2/c1-22(2,17-24-13-6-7-14-24)23-21(27)19-10-11-20(26)25(16-19)15-12-18-8-4-3-5-9-18/h3-5,8-9,19H,6-7,10-17H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1