ethyl 5-methoxy-1-methyl-4-(phenylsulfonyl)-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-methoxy-1-methyl-4-(phenylsulfonyl)-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 4-(benzenesulfonyl)-5-methoxy-1-methyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 4-besyl-5-methoxy-1-methyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H31N2O5S+ MolecularWeight: 471.58904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)C)C[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)C)C[NH+]4CCCCC4

InChI

InChI=1S/C25H30N2O5S/c1-4-32-25(28)23-20(17-27-15-9-6-10-16-27)26(2)19-13-14-21(31-3)24(22(19)23)33(29,30)18-11-7-5-8-12-18/h5,7-8,11-14H,4,6,9-10,15-17H2,1-3H3/p+1