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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-benzyl-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-benzyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-benzyl-4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbothioamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-17-8-9-20(25-2)19(14-17)16-23-10-12-24(13-11-23)21(26)22-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,26)/p+1