4-[(3-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(m-tolylmethyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C18H28N3OS+ MolecularWeight: 334.49942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C18H27N3OS/c1-15-4-2-5-16(12-15)14-20-7-9-21(10-8-20)18(23)19-13-17-6-3-11-22-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,19,23)/p+1/t17-/m1/s1