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

Systemtic Name: 2-[2-(4-carbamothioylphenyl)-2-methyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(4-carbamothioylphenyl)-2-methyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[2-(4-carbamothioylphenyl)-2-methyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[2-(4-carbamothioylphenyl)-2-methyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-methyl-1-piperazino-2-(4-thiocarbamoylphenyl)piperidin-1-ium-1-yl]acetic acid Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC[N+]1(CC(=O)O)N2CCNCC2)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

CC1(CCCC[N+]1(CC(=O)O)N2CCNCC2)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C19H28N4O2S/c1-19(16-6-4-15(5-7-16)18(20)26)8-2-3-13-23(19,14-17(24)25)22-11-9-21-10-12-22/h4-7,21H,2-3,8-14H2,1H3,(H2-,20,24,25,26)/p+1