N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-4-isopropoxy-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-4-propan-2-yloxybenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-4-isopropoxy-benzamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)OC(C)C)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)OC(C)C)[NH+]3CCCCCC3

InChI

InChI=1S/C25H34N2O2/c1-19(2)29-23-14-12-22(13-15-23)25(28)26-18-24(21-10-8-20(3)9-11-21)27-16-6-4-5-7-17-27/h8-15,19,24H,4-7,16-18H2,1-3H3,(H,26,28)/p+1/t24-/m0/s1