methyl 5,6-dimethoxy-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5,6-dimethoxy-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5,6-dimethoxy-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(NC3=CC(=C(C=C32)OC)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O5/c1-12-5-7-23(8-6-12)11-17(24)22-18-13-9-15(26-2)16(27-3)10-14(13)21-19(18)20(25)28-4/h9-10,12,21H,5-8,11H2,1-4H3,(H,22,24)/p+1