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

Systemtic Name: ethyl 5-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-(3-piperidin-1-ium-1-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-3-27-20(25)19-18(15-13-14(26-2)7-8-16(15)21-19)22-17(24)9-12-23-10-5-4-6-11-23/h7-8,13,21H,3-6,9-12H2,1-2H3,(H,22,24)/p+1