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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-18-8-9-21(26-2)20(16-18)17-24-12-14-25(15-13-24)22(27)23-11-10-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3,(H,23,27)/p+1