1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]thiourea Traditional Name: 1-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-3-piperonyl-thiourea Formula: C17H28N4O2S+2 MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H26N4O2S/c1-20-7-9-21(10-8-20)6-2-5-18-17(24)19-12-14-3-4-15-16(11-14)23-13-22-15/h3-4,11H,2,5-10,12-13H2,1H3,(H2,18,19,24)/p+2