N-cyclopropyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-(3-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C16H23N3S/c1-13-3-2-4-14(11-13)12-18-7-9-19(10-8-18)16(20)17-15-5-6-15/h2-4,11,15H,5-10,12H2,1H3,(H,17,20)/p+1