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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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