N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-ethoxy-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-ethoxy-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(2-chlorophenyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-ethoxybenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(2-chlorophenyl)ethyl]-4-ethoxy-benzamide Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2Cl)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CC=C2Cl)[NH+]3CCCCCC3

InChI

InChI=1S/C23H29ClN2O2/c1-2-28-19-13-11-18(12-14-19)23(27)25-17-22(20-9-5-6-10-21(20)24)26-15-7-3-4-8-16-26/h5-6,9-14,22H,2-4,7-8,15-17H2,1H3,(H,25,27)/p+1/t22-/m0/s1