(3S)-1-[(3-methylsulfanylphenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methylsulfanylphenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methylsulfanylphenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[[3-(methylthio)phenyl]methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methylsulfanylphenyl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]-phenyl-amine Formula: C19H25N2S+ MolecularWeight: 313.4802

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCCC(C2)NC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3

InChI

InChI=1S/C19H24N2S/c1-22-19-11-5-7-16(13-19)14-21-12-6-10-18(15-21)20-17-8-3-2-4-9-17/h2-5,7-9,11,13,18,20H,6,10,12,14-15H2,1H3/p+1/t18-/m0/s1