N-(2-methoxy-5-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C16H25N3OS/c1-4-7-18-8-10-19(11-9-18)16(21)17-14-12-13(2)5-6-15(14)20-3/h5-6,12H,4,7-11H2,1-3H3,(H,17,21)/p+1