1-(1,3-benzodioxol-5-ylmethyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 1-(3-piperidin-1-ium-1-ylpropyl)-3-piperonyl-thiourea Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H25N3O2S/c23-17(18-7-4-10-20-8-2-1-3-9-20)19-12-14-5-6-15-16(11-14)22-13-21-15/h5-6,11H,1-4,7-10,12-13H2,(H2,18,19,23)/p+1