2-[6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonyl]oxyethyl-diethylazanium Traditional Name: 2-[6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carbonyl]oxyethyl-diethyl-ammonium Formula: C24H30BrN2O3S+ MolecularWeight: 506.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3

InChI

InChI=1S/C24H29BrN2O3S/c1-5-27(6-2)12-13-30-24(28)23-18-14-22(29-4)19(25)15-20(18)26(3)21(23)16-31-17-10-8-7-9-11-17/h7-11,14-15H,5-6,12-13,16H2,1-4H3/p+1