2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(1-naphthyl)ethyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(1R)-1-(1-naphthalenyl)ethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(1-naphthyl)ethyl]acetamide Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O2/c1-20(23-12-8-10-21-9-4-5-11-24(21)23)27-25(30)19-28-17-13-22(14-18-28)26(31)29-15-6-2-3-7-16-29/h4-5,8-12,20,22H,2-3,6-7,13-19H2,1H3,(H,27,30)/p+1/t20-/m1/s1