3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H37N3O3/c1-32-24-11-7-22(8-12-24)26-6-4-3-5-16-29(26)17-15-27(31)30-20-18-28(19-21-30)23-9-13-25(33-2)14-10-23/h7-14,26H,3-6,15-21H2,1-2H3/p+1/t26-/m1/s1