1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[(3R)-quinuclidin-1-ium-3-yl]thiourea CAS Name: 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-p-phenetyl-3-[(3R)-quinuclidin-1-ium-3-yl]thiourea Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C16H23N3OS/c1-2-20-14-5-3-13(4-6-14)17-16(21)18-15-11-19-9-7-12(15)8-10-19/h3-6,12,15H,2,7-11H2,1H3,(H2,17,18,21)/p+1/t15-/m0/s1