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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-propyl-piperazin-4-ium-1-carbothioamide Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3OS/c1-4-7-18-17(22)20-10-8-19(9-11-20)13-15-12-14(2)5-6-16(15)21-3/h5-6,12H,4,7-11,13H2,1-3H3,(H,18,22)/p+1