ethyl 1-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-1-methyl-4-(4-morpholin-4-iumylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-hydroxy-1-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCOCC3)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)C[NH+]3CCOCC3)C)CSC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O4S/c1-3-30-24(28)23-20(16-31-17-7-5-4-6-8-17)25(2)19-9-10-21(27)18(22(19)23)15-26-11-13-29-14-12-26/h4-10,27H,3,11-16H2,1-2H3/p+1