(2-methylsulfanylphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-(6-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C23H24N2OS/c1-27-22-9-3-2-8-20(22)23(26)19-7-5-13-25(16-19)15-17-10-11-21-18(14-17)6-4-12-24-21/h2-4,6,8-12,14,19H,5,7,13,15-16H2,1H3/p+1/t19-/m0/s1