4-[(3-methylphenyl)methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: N-isopropyl-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: N-isopropyl-4-(3-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC(C)C

InChI

InChI=1S/C16H25N3S/c1-13(2)17-16(20)19-9-7-18(8-10-19)12-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,17,20)/p+1