(4-methylsulfanylphenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[4-(methylthio)benzyl]ammonium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H26N2S/c1-13(2)18-10-8-15(9-11-18)17-12-14-4-6-16(19-3)7-5-14/h4-7,13,15,17H,8-12H2,1-3H3/p+2