[(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[4-(methylthio)benzyl]ammonium Formula: C16H29N2S+ MolecularWeight: 281.47986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[NH2+]CC1=CC=C(C=C1)SC)N(C)C

Isomeric SMILES

CC(C)C[C@@H](C[NH2+]CC1=CC=C(C=C1)SC)N(C)C

InChI

InChI=1S/C16H28N2S/c1-13(2)10-15(18(3)4)12-17-11-14-6-8-16(19-5)9-7-14/h6-9,13,15,17H,10-12H2,1-5H3/p+1/t15-/m0/s1