1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O2S/c21-15(16-6-9-18-7-2-1-3-8-18)17-12-4-5-13-14(10-12)20-11-19-13/h4-5,10H,1-3,6-9,11H2,(H2,16,17,21)/p+1