2-[2-(4-carbamothioylphenyl)-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-carbamothioylphenyl)-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(4-carbamothioylphenyl)-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-(4-carbamothioylphenyl)-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-(4-carbamothioylphenyl)-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-piperazino-2-(4-thiocarbamoylphenyl)piperidin-1-ium-1-yl]acetic acid Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C2=CC=C(C=C2)C(=S)N)(CC(=O)O)N3CCNCC3

Isomeric SMILES

C1CC[N+](C(C1)C2=CC=C(C=C2)C(=S)N)(CC(=O)O)N3CCNCC3

InChI

InChI=1S/C18H26N4O2S/c19-18(25)15-6-4-14(5-7-15)16-3-1-2-12-22(16,13-17(23)24)21-10-8-20-9-11-21/h4-7,16,20H,1-3,8-13H2,(H2-,19,23,24,25)/p+1