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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylpiperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopropyl-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H21N3O2S/c22-16(17-13-2-3-13)19-7-5-18(6-8-19)10-12-1-4-14-15(9-12)21-11-20-14/h1,4,9,13H,2-3,5-8,10-11H2,(H,17,22)/p+1