1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]isonipecotamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H31N3O3/c1-27-18-8-6-16(7-9-18)19-5-3-2-4-12-24(19)15-20(25)23-13-10-17(11-14-23)21(22)26/h6-9,17,19H,2-5,10-15H2,1H3,(H2,22,26)/p+1/t19-/m1/s1