methyl 5-methyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CC[NH+]3CCCCC3)C(=O)OC

InChI

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