(4-methylsulfanylphenyl)-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: [4-(methylthio)phenyl]-[(3S)-1-(4-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

InChI

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