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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC(C)C

InChI

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