ethyl 1,2-dimethyl-5-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CCC(CC3)C)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH+]3CCC(CC3)C)O)C)C

InChI

InChI=1S/C22H32N2O4/c1-5-27-22(26)21-16(3)23(4)20-7-6-18(12-19(20)21)28-14-17(25)13-24-10-8-15(2)9-11-24/h6-7,12,15,17,25H,5,8-11,13-14H2,1-4H3/p+1