1-(oxolan-2-ylmethyl)-3-(1-pyridin-1-ium-4-ylethyl)thiourea

Systemtic Name: 1-(oxolan-2-ylmethyl)-3-(1-pyridin-1-ium-4-ylethyl)thiourea Openeye Name: 1-(1-pyridin-1-ium-4-ylethyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(2-oxolanylmethyl)-3-[1-(4-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(oxolan-2-ylmethyl)-3-(1-pyridin-1-ium-4-ylethyl)thiourea Traditional Name: 1-(1-pyridin-1-ium-4-ylethyl)-3-(tetrahydrofurfuryl)thiourea Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=[NH+]C=C1)NC(=S)NCC2CCCO2

Isomeric SMILES

CC(C1=CC=[NH+]C=C1)NC(=S)NCC2CCCO2

InChI

InChI=1S/C13H19N3OS/c1-10(11-4-6-14-7-5-11)16-13(18)15-9-12-3-2-8-17-12/h4-7,10,12H,2-3,8-9H2,1H3,(H2,15,16,18)/p+1