ethyl 5-methoxy-3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H34N3O4+ MolecularWeight: 464.57656

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+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4/c1-3-34-27(32)26-25(22-18-21(33-2)9-10-23(22)28-26)29-24(31)13-16-30-14-11-20(12-15-30)17-19-7-5-4-6-8-19/h4-10,18,20,28H,3,11-17H2,1-2H3,(H,29,31)/p+1