2-[(2R)-1-[3-(azepan-1-ium-1-ylmethyl)phenyl]carbonylpiperidin-2-yl]ethanamide

Systemtic Name: 2-[(2R)-1-[3-(azepan-1-ium-1-ylmethyl)phenyl]carbonylpiperidin-2-yl]ethanamide Openeye Name: 2-[(2R)-1-[3-(azepan-1-ium-1-ylmethyl)benzoyl]-2-piperidyl]acetamide CAS Name: 2-[(2R)-1-[[3-(1-azepan-1-iumylmethyl)phenyl]-oxomethyl]-2-piperidinyl]acetamide IUPAC Name: 2-[(2R)-1-[3-(azepan-1-ium-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide Traditional Name: 2-[(2R)-1-[3-(azepan-1-ium-1-ylmethyl)benzoyl]-2-piperidyl]acetamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N3CCCCC3CC(=O)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N3CCCC[C@@H]3CC(=O)N

InChI

InChI=1S/C21H31N3O2/c22-20(25)15-19-10-3-6-13-24(19)21(26)18-9-7-8-17(14-18)16-23-11-4-1-2-5-12-23/h7-9,14,19H,1-6,10-13,15-16H2,(H2,22,25)/p+1/t19-/m1/s1