4-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(o-tolylmethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methylphenyl)methyl]-N-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-methylbenzyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=S)NC[C@@H]3CCCO3

InChI

InChI=1S/C18H27N3OS/c1-15-5-2-3-6-16(15)14-20-8-10-21(11-9-20)18(23)19-13-17-7-4-12-22-17/h2-3,5-6,17H,4,7-14H2,1H3,(H,19,23)/p+1/t17-/m0/s1