N-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-isopropylphenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-isopropylbenzyl)-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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