4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-ethoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-ethoxypropyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOCCCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

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