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

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-methoxyphenyl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-m-anisyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C18H27N3O2S/c1-22-16-5-2-4-15(12-16)14-20-7-9-21(10-8-20)18(24)19-13-17-6-3-11-23-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3,(H,19,24)/p+1/t17-/m1/s1