2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,6-diisopropylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,6-diisopropylphenyl)acetamide Formula: C26H42N3O2+ MolecularWeight: 428.63058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C26H41N3O2/c1-19(2)22-10-9-11-23(20(3)4)25(22)27-24(30)18-28-16-12-21(13-17-28)26(31)29-14-7-5-6-8-15-29/h9-11,19-21H,5-8,12-18H2,1-4H3,(H,27,30)/p+1