2-[1-(4-aminophenyl)carbothioylpiperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(4-aminophenyl)carbothioylpiperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(4-aminobenzenecarbothioyl)piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[(4-aminophenyl)-sulfanylidenemethyl]-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[1-(4-aminobenzenecarbothioyl)piperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(4-aminothiobenzoyl)piperidin-1-ium-1-yl]acetic acid Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c15-12-6-4-11(5-7-12)14(19)16(10-13(17)18)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H2-,15,17,18,19)/p+1