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

Systemtic Name: N-prop-2-enyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-prop-2-enyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-prop-2-enyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-5-8-19-18(25)21-11-9-20(10-12-21)13-14-6-7-15(22-2)17(24-4)16(14)23-3/h5-7H,1,8-13H2,2-4H3,(H,19,25)/p+1