ethyl 3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H27N3O3/c1-3-26-20(25)19-18(15-6-4-5-7-16(15)21-19)22-17(24)10-13-23-11-8-14(2)9-12-23/h4-7,14,21H,3,8-13H2,1-2H3,(H,22,24)/p+1