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

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: N-isopropyl-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: N-isopropyl-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H25N3OS/c1-13(2)17-16(21)19-10-8-18(9-11-19)12-14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,17,21)/p+1