(1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl N-(2-phenylthiophen-3-yl)carbamate

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl N-(2-phenylthiophen-3-yl)carbamate Openeye Name: (1-phenethylquinuclidin-1-ium-3-yl)methyl N-(2-phenyl-3-thienyl)carbamate CAS Name: N-(2-phenyl-3-thiophenyl)carbamic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl N-(2-phenylthiophen-3-yl)carbamate Traditional Name: N-(2-phenyl-3-thienyl)carbamic acid (1-phenethylquinuclidin-1-ium-3-yl)methyl ester Formula: C27H31N2O2S+ MolecularWeight: 447.61224

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)COC(=O)NC3=C(SC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)COC(=O)NC3=C(SC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O2S/c30-27(28-25-14-18-32-26(25)23-9-5-2-6-10-23)31-20-24-19-29(16-12-22(24)13-17-29)15-11-21-7-3-1-4-8-21/h1-10,14,18,22,24H,11-13,15-17,19-20H2/p+1