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

Systemtic Name: 3-pyridin-3-yl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(3-pyridyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(3-pyridinyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-pyridin-3-yl-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 3-(3-pyridyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-(2-thenyl)thiourea Formula: C20H29N4S2+ MolecularWeight: 389.60106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CS2)C(=S)NC3=CN=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N(CC2=CC=CS2)C(=S)NC3=CN=CC=C3)C

InChI

InChI=1S/C20H28N4S2/c1-19(2)11-16(12-20(3,4)23-19)24(14-17-8-6-10-26-17)18(25)22-15-7-5-9-21-13-15/h5-10,13,16,23H,11-12,14H2,1-4H3,(H,22,25)/p+1