N-(cyclopentylcarbamoyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H31N3O3/c1-27-18-12-10-16(11-13-18)19-9-3-2-6-14-24(19)15-20(25)23-21(26)22-17-7-4-5-8-17/h10-13,17,19H,2-9,14-15H2,1H3,(H2,22,23,25,26)/p+1/t19-/m1/s1