4-(1,3-benzodioxol-5-ylmethyl)-N-propan-2-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: N-isopropyl-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-12(2)17-16(22)19-7-5-18(6-8-19)10-13-3-4-14-15(9-13)21-11-20-14/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,17,22)/p+1