1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-piperonyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C16H19N4O2S+ MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCNC3=CC=CC=[NH+]3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCNC3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18N4O2S/c23-16(19-8-7-18-15-3-1-2-6-17-15)20-10-12-4-5-13-14(9-12)22-11-21-13/h1-6,9H,7-8,10-11H2,(H,17,18)(H2,19,20,23)/p+1