1-[(4-ethoxyphenyl)methyl]-1-phenethyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-1-phenethyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-[(4-ethoxyphenyl)methyl]-1-phenethyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-[(4-ethoxyphenyl)methyl]-1-phenethyl-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-1-phenethyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(4-ethoxybenzyl)-1-phenethyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)thiourea Formula: C27H40N3OS+ MolecularWeight: 454.691

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C(=S)NC3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C(=S)NC3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C27H39N3OS/c1-6-31-24-14-12-22(13-15-24)20-30(17-16-21-10-8-7-9-11-21)25(32)28-23-18-26(2,3)29-27(4,5)19-23/h7-15,23,29H,6,16-20H2,1-5H3,(H,28,32)/p+1