3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-(2-ethylphenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-(2-ethylphenyl)-1-(3-pyridinylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-(3-pyridylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C24H35N4S+ MolecularWeight: 411.6265

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CN=CC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C24H34N4S/c1-6-19-11-7-8-12-21(19)26-22(29)28(17-18-10-9-13-25-16-18)20-14-23(2,3)27-24(4,5)15-20/h7-13,16,20,27H,6,14-15,17H2,1-5H3,(H,26,29)/p+1