(2-methylsulfanylphenyl)-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C19H24NOS2+ MolecularWeight: 346.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H23NOS2/c1-14-9-10-16(23-14)13-20-11-5-6-15(12-20)19(21)17-7-3-4-8-18(17)22-2/h3-4,7-10,15H,5-6,11-13H2,1-2H3/p+1/t15-/m0/s1