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

Systemtic Name: N-cyclopropyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopropyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopropyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopropyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-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)NC3CC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=S)NC3CC3)OC)OC

InChI

InChI=1S/C18H27N3O3S/c1-22-15-7-4-13(16(23-2)17(15)24-3)12-20-8-10-21(11-9-20)18(25)19-14-5-6-14/h4,7,14H,5-6,8-12H2,1-3H3,(H,19,25)/p+1