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

Systemtic Name: N-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carbothioamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3)OC)OC

InChI

InChI=1S/C21H33N3O3S/c1-25-18-10-9-16(19(26-2)20(18)27-3)15-23-11-13-24(14-12-23)21(28)22-17-7-5-4-6-8-17/h9-10,17H,4-8,11-15H2,1-3H3,(H,22,28)/p+1