2-[(3-phenylphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(3-phenylphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylethanoic acid Openeye Name: 2-[(3-phenylphenyl)-piperidin-1-ium-1-ylidene-methyl]sulfanylacetic acid CAS Name: 2-[[(3-phenylphenyl)-(1-piperidin-1-iumylidene)methyl]thio]acetic acid IUPAC Name: 2-[(3-phenylphenyl)-piperidin-1-ium-1-ylidenemethyl]sulfanylacetic acid Traditional Name: 2-[[(3-phenylphenyl)-piperidin-1-ium-1-ylidene-methyl]thio]acetic acid Formula: C20H22NO2S+ MolecularWeight: 340.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C(C2=CC=CC(=C2)C3=CC=CC=C3)SCC(=O)O)CC1

Isomeric SMILES

C1CC[N+](=C(C2=CC=CC(=C2)C3=CC=CC=C3)SCC(=O)O)CC1

InChI

InChI=1S/C20H21NO2S/c22-19(23)15-24-20(21-12-5-2-6-13-21)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1,3-4,7-11,14H,2,5-6,12-13,15H2/p+1