N-ethyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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