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

Systemtic Name: 1-(4-phenylazanylphenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(4-anilinophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(4-anilinophenyl)-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(4-anilinophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(4-anilinophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C22H31N4S+ MolecularWeight: 383.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H30N4S/c1-21(2)14-19(15-22(3,4)26-21)25-20(27)24-18-12-10-17(11-13-18)23-16-8-6-5-7-9-16/h5-13,19,23,26H,14-15H2,1-4H3,(H2,24,25,27)/p+1