[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H25N3OS/c1-24(14-16-7-9-18(26-2)10-8-16)15-21(25)22-12-11-17-13-23-20-6-4-3-5-19(17)20/h3-10,13,23H,11-12,14-15H2,1-2H3,(H,22,25)/p+1