4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C28H37N4O4+ MolecularWeight: 493.61778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O4/c1-36-25-12-10-24(11-13-25)30-27(34)21-6-8-23(9-7-21)29-26(33)20-31-18-14-22(15-19-31)28(35)32-16-4-2-3-5-17-32/h6-13,22H,2-5,14-20H2,1H3,(H,29,33)(H,30,34)/p+1