methyl 5-methyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)NC2=C(NC3=C2C=C(C=C3)C)C(=O)OC

InChI

InChI=1S/C19H25N3O3/c1-12-6-7-15-14(9-12)17(18(20-15)19(24)25-3)21-16(23)11-22-8-4-5-13(2)10-22/h6-7,9,13,20H,4-5,8,10-11H2,1-3H3,(H,21,23)/p+1/t13-/m1/s1