N-phenethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-phenethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-phenethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-phenethyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-phenethyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-phenethyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carbothioamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H31N3O3S/c1-27-20-10-9-19(21(28-2)22(20)29-3)17-25-13-15-26(16-14-25)23(30)24-12-11-18-7-5-4-6-8-18/h4-10H,11-17H2,1-3H3,(H,24,30)/p+1