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

Systemtic Name: N-butyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-butyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-butyl-4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-butyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-butyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3OS/c1-4-5-8-19-18(23)21-11-9-20(10-12-21)14-16-13-15(2)6-7-17(16)22-3/h6-7,13H,4-5,8-12,14H2,1-3H3,(H,19,23)/p+1