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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-2-(naphthalen-2-ylsulfanylmethyl)-5-oxidanyl-indole-3-carboxylate hydrate hydrochloride Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(2-naphthylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(2-naphthalenylthio)methyl]-3-indolecarboxylic acid ethyl ester hydrate hydrochloride IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(naphthalen-2-ylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(2-naphthylthio)methyl]indole-3-carboxylic acid ethyl ester hydrate hydrochloride Formula: C26H30BrClN2O4S MolecularWeight: 581.9494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC4=CC=CC=C4C=C3.O.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC4=CC=CC=C4C=C3.O.Cl

InChI

InChI=1S/C26H27BrN2O3S.ClH.H2O/c1-5-32-26(31)24-22(15-33-18-11-10-16-8-6-7-9-17(16)12-18)29(4)21-13-20(27)25(30)19(23(21)24)14-28(2)3;;/h6-13,30H,5,14-15H2,1-4H3;1H;1H2