1-(4-ethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(4-ethoxyphenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-p-phenetyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C18H29N3OS/c1-6-22-15-9-7-13(8-10-15)19-16(23)20-14-11-17(2,3)21-18(4,5)12-14/h7-10,14,21H,6,11-12H2,1-5H3,(H2,19,20,23)/p+1