(1R,5S)-3-diphenoxyphosphoryl-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one

Systemtic Name: (1R,5S)-3-diphenoxyphosphoryl-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Openeye Name: (1R,5S)-3-diphenoxyphosphoryl-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one CAS Name: (1R,5S)-3-diphenoxyphosphoryl-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one IUPAC Name: (1R,5S)-3-diphenoxyphosphoryl-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Traditional Name: (1R,5S)-3-diphenoxyphosphoryl-1,5-dimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-9-one Formula: C21H26N2O4P+ MolecularWeight: 401.415901

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Descriptors Computed from Structure

Canonical SMILES:

CC12C[NH2+]CC(C1=O)(CN(C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

C[C@]12C[NH2+]C[C@](C1=O)(CN(C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N2O4P/c1-20-13-22-14-21(2,19(20)24)16-23(15-20)28(25,26-17-9-5-3-6-10-17)27-18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3/p+1/t20-,21+