(4-methylsulfanylphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [4-(methylthio)phenyl]-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-(3-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H25N3OS/c1-28-22-10-8-19(9-11-22)23(27)20-6-3-13-25(17-20)16-18-5-2-7-21(15-18)26-14-4-12-24-26/h2,4-5,7-12,14-15,20H,3,6,13,16-17H2,1H3/p+1/t20-/m0/s1