N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-propan-2-ylphenyl)-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-p-cumenyl-4-(3-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C20H27N4S+ MolecularWeight: 355.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H26N4S/c1-16(2)18-5-7-19(8-6-18)22-20(25)24-12-10-23(11-13-24)15-17-4-3-9-21-14-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,25)/p+1