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

Systemtic Name: ethyl 5-methoxy-1,2-dimethyl-4-[3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoylamino]indole-3-carboxylate Openeye Name: ethyl 4-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-methoxy-1,2-dimethyl-4-[[1-oxo-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]amino]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-[3-(4-benzylpiperidin-1-ium-1-yl)propanoylamino]-5-methoxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C29H38N3O4+ MolecularWeight: 492.62972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C29H37N3O4/c1-5-36-29(34)26-20(2)31(3)23-11-12-24(35-4)28(27(23)26)30-25(33)15-18-32-16-13-22(14-17-32)19-21-9-7-6-8-10-21/h6-12,22H,5,13-19H2,1-4H3,(H,30,33)/p+1