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

Systemtic Name: methyl 4-chloranyl-3-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(NC3=C2C(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H22ClN3O3/c1-11-6-8-22(9-7-11)10-14(23)21-16-15-12(19)4-3-5-13(15)20-17(16)18(24)25-2/h3-5,11,20H,6-10H2,1-2H3,(H,21,23)/p+1