N-[(2R)-1-indol-1-ylpropan-2-yl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(2R)-1-indol-1-ylpropan-2-yl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(1R)-2-indol-1-yl-1-methyl-ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(2R)-1-(1-indolyl)propan-2-yl]-3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(2R)-1-indol-1-ylpropan-2-yl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(1R)-2-indol-1-yl-1-methyl-ethyl]-3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)OC4CC[NH+](CC4)C)OC

Isomeric SMILES

C[C@H](CN1C=CC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)OC4CC[NH+](CC4)C)OC

InChI

InChI=1S/C25H31N3O3/c1-18(17-28-15-10-19-6-4-5-7-22(19)28)26-25(29)20-8-9-23(24(16-20)30-3)31-21-11-13-27(2)14-12-21/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)/p+1/t18-/m1/s1