methyl 1,4-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]indole-2-carboxylate

Systemtic Name: methyl 1,4-dimethyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]indole-2-carboxylate Openeye Name: methyl 1,4-dimethyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]indole-2-carboxylate CAS Name: 1,4-dimethyl-3-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1,4-dimethyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]indole-2-carboxylate Traditional Name: 1,4-dimethyl-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]indole-2-carboxylic acid methyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(N(C3=CC=CC(=C32)C)C)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(N(C3=CC=CC(=C32)C)C)C(=O)OC

InChI

InChI=1S/C20H27N3O3/c1-13-8-10-23(11-9-13)12-16(24)21-18-17-14(2)6-5-7-15(17)22(3)19(18)20(25)26-4/h5-7,13H,8-12H2,1-4H3,(H,21,24)/p+1