1-(1,3-benzodioxol-5-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-piperonyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H27N3O2S/c1-17(2)8-13(9-18(3,4)21-17)20-16(24)19-10-12-5-6-14-15(7-12)23-11-22-14/h5-7,13,21H,8-11H2,1-4H3,(H2,19,20,24)/p+1