2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(4-methylphenoxy)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(4-methylphenoxy)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(4-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O3/c1-21-6-10-24(11-7-21)33-25-12-8-23(9-13-25)28-26(31)20-29-18-14-22(15-19-29)27(32)30-16-4-2-3-5-17-30/h6-13,22H,2-5,14-20H2,1H3,(H,28,31)/p+1