N-(4-propan-2-ylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-propan-2-ylphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-p-cumenyl-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C19H25N4S+ MolecularWeight: 341.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4S/c1-15(2)16-6-8-17(9-7-16)21-19(24)23-13-11-22(12-14-23)18-5-3-4-10-20-18/h3-10,15H,11-14H2,1-2H3,(H,21,24)/p+1