6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride

Systemtic Name: 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride Openeye Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylate hydrate hydrochloride IUPAC Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylate hydrate hydrochloride Formula: C20H23BrClN2O4S- MolecularWeight: 502.82962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C(=C2C(=C1CSC3=CC=CC=C3)C(=O)[O-])CN(C)C)O)Br.O.Cl

Isomeric SMILES

CN1C2=CC(=C(C(=C2C(=C1CSC3=CC=CC=C3)C(=O)[O-])CN(C)C)O)Br.O.Cl

InChI

InChI=1S/C20H21BrN2O3S.ClH.H2O/c1-22(2)10-13-17-15(9-14(21)19(13)24)23(3)16(18(17)20(25)26)11-27-12-7-5-4-6-8-12;;/h4-9,24H,10-11H2,1-3H3,(H,25,26);1H;1H2/p-1