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

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C27H39N3O2+2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-32-25-13-11-23(12-14-25)26-10-6-3-7-17-30(26)21-27(31)28-24-15-18-29(19-16-24)20-22-8-4-2-5-9-22/h2,4-5,8-9,11-14,24,26H,3,6-7,10,15-21H2,1H3,(H,28,31)/p+2/t26-/m1/s1