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

Systemtic Name: N-(2-methylprop-2-enyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-isopropylphenyl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-isopropylbenzyl)-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C19H30N3S+ MolecularWeight: 332.5266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3S/c1-15(2)13-20-19(23)22-11-9-21(10-12-22)14-17-5-7-18(8-6-17)16(3)4/h5-8,16H,1,9-14H2,2-4H3,(H,20,23)/p+1