1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-piperonyl-thiourea Formula: C14H21N4O2S+ MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H20N4O2S/c1-17-4-6-18(7-5-17)16-14(21)15-9-11-2-3-12-13(8-11)20-10-19-12/h2-3,8H,4-7,9-10H2,1H3,(H2,15,16,21)/p+1