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

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-p-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=C(C=C1)C[NH+]2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-22-16-6-4-15(5-7-16)14-20-8-10-21(11-9-20)18(24)19-13-17-3-2-12-23-17/h4-7,17H,2-3,8-14H2,1H3,(H,19,24)/p+1/t17-/m1/s1