1-ethyl-3-(4-methoxyphenyl)-1-(pyridin-1-ium-4-ylmethyl)thiourea

Systemtic Name: 1-ethyl-3-(4-methoxyphenyl)-1-(pyridin-1-ium-4-ylmethyl)thiourea Openeye Name: 1-ethyl-3-(4-methoxyphenyl)-1-(pyridin-1-ium-4-ylmethyl)thiourea CAS Name: 1-ethyl-3-(4-methoxyphenyl)-1-(4-pyridin-1-iumylmethyl)thiourea IUPAC Name: 1-ethyl-3-(4-methoxyphenyl)-1-(pyridin-1-ium-4-ylmethyl)thiourea Traditional Name: 1-ethyl-3-(4-methoxyphenyl)-1-(pyridin-1-ium-4-ylmethyl)thiourea Formula: C16H20N3OS+ MolecularWeight: 302.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=[NH+]C=C1)C(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC1=CC=[NH+]C=C1)C(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H19N3OS/c1-3-19(12-13-8-10-17-11-9-13)16(21)18-14-4-6-15(20-2)7-5-14/h4-11H,3,12H2,1-2H3,(H,18,21)/p+1