[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(phenylmethyl)carbamate

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(phenylmethyl)carbamate Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] N-benzyl-N-phenyl-carbamate CAS Name: N-phenyl-N-(phenylmethyl)carbamic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-benzyl-N-phenylcarbamate Traditional Name: N-benzyl-N-phenyl-carbamic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N2O2/c1-2-15-26-16-13-21(14-17-26)23(19-26)28-24(27)25(22-11-7-4-8-12-22)18-20-9-5-3-6-10-20/h2-12,21,23H,1,13-19H2/q+1/t21?,23-,26?/m0/s1