3-chloranyl-N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide

Systemtic Name: 3-chloranyl-N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide Openeye Name: 3-chloro-N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide CAS Name: 3-chloro-N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide IUPAC Name: 3-chloro-N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide Traditional Name: 3-chloro-N-[[(1R)-2-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=CC(=C(C=C2C1CNC(=O)C3=CC(=CC=C3)Cl)OC)OC

Isomeric SMILES

CC[NH+]1CCC2=CC(=C(C=C2[C@@H]1CNC(=O)C3=CC(=CC=C3)Cl)OC)OC

InChI

InChI=1S/C21H25ClN2O3/c1-4-24-9-8-14-11-19(26-2)20(27-3)12-17(14)18(24)13-23-21(25)15-6-5-7-16(22)10-15/h5-7,10-12,18H,4,8-9,13H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1