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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

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