4-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c30-25(27-24-8-4-3-5-9-24)22-12-10-21(11-13-22)20-28-18-14-23(15-19-28)26(31)29-16-6-1-2-7-17-29/h3-5,8-13,23H,1-2,6-7,14-20H2,(H,27,30)/p+1