2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[bis(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[bis(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[bis(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[bis(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[bis(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[bis(4-methoxyphenyl)methyl]acetamide Formula: C29H40N3O4+ MolecularWeight: 494.6456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C29H39N3O4/c1-35-25-11-7-22(8-12-25)28(23-9-13-26(36-2)14-10-23)30-27(33)21-31-19-15-24(16-20-31)29(34)32-17-5-3-4-6-18-32/h7-14,24,28H,3-6,15-21H2,1-2H3,(H,30,33)/p+1