1-prop-2-enyl-3-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]thiourea

Systemtic Name: 1-prop-2-enyl-3-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]thiourea Openeye Name: 1-allyl-3-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]thiourea CAS Name: 1-prop-2-enyl-3-[6-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumyl]thiourea IUPAC Name: 1-prop-2-enyl-3-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]thiourea Traditional Name: 1-allyl-3-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-yl]thiourea Formula: C19H23F3N6S+2 MolecularWeight: 424.48633

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C=CCNC(=S)NC1=C[NH+]=C(C=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N6S/c1-2-7-23-18(29)26-15-4-6-17(25-13-15)28-10-8-27(9-11-28)16-5-3-14(12-24-16)19(20,21)22/h2-6,12-13H,1,7-11H2,(H2,23,26,29)/p+2