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

Systemtic Name: 1-(phenylmethyl)-3-pyridin-3-yl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-benzyl-3-(3-pyridyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(phenylmethyl)-3-(3-pyridinyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-benzyl-3-pyridin-3-yl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-benzyl-3-(3-pyridyl)-1-(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)N(CC2=CC=CC=C2)C(=S)NC3=CN=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CC=C2)C(=S)NC3=CN=CC=C3)C

InChI

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