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

Systemtic Name: N-cyclopropyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NC3CC3

InChI

InChI=1S/C17H25N3OS/c1-13-3-6-16(21-2)14(11-13)12-19-7-9-20(10-8-19)17(22)18-15-4-5-15/h3,6,11,15H,4-5,7-10,12H2,1-2H3,(H,18,22)/p+1