N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCCOC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCCOC

InChI

InChI=1S/C16H25N3OS/c1-14-5-3-4-6-15(14)13-18-8-10-19(11-9-18)16(21)17-7-12-20-2/h3-6H,7-13H2,1-2H3,(H,17,21)/p+1