hydrogen carbonate; methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium

Systemtic Name: hydrogen carbonate; methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium Openeye Name: hydrogen carbonate; methyl-[1-methyl-2-(5-methylsulfanyl-1H-indol-3-yl)propyl]ammonium CAS Name: hydrogen carbonate; methyl-[3-[5-(methylthio)-1H-indol-3-yl]butan-2-yl]ammonium IUPAC Name: hydrogen carbonate; methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium Traditional Name: methyl-[1-methyl-2-[5-(methylthio)-1H-indol-3-yl]propyl]ammonium bicarbonate Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=C1C=C(C=C2)SC)C(C)[NH2+]C.C(=O)(O)[O-]

Isomeric SMILES

CC(C1=CNC2=C1C=C(C=C2)SC)C(C)[NH2+]C.C(=O)(O)[O-]

InChI

InChI=1S/C14H20N2S.CH2O3/c1-9(10(2)15-3)13-8-16-14-6-5-11(17-4)7-12(13)14;2-1(3)4/h5-10,15-16H,1-4H3;(H2,2,3,4)