6,6-dimethyl-2,3-diphenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphole

Systemtic Name: 6,6-dimethyl-2,3-diphenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphole Openeye Name: 6,6-dimethyl-2,3-diphenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphole CAS Name: 6,6-dimethyl-2,3-diphenyl-4-(1-piperidin-1-iumyl)-5,7-dihydro-1,2,3-benzodiazaphosphole IUPAC Name: 6,6-dimethyl-2,3-diphenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphole Traditional Name: 6,6-dimethyl-2,3-diphenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphole Formula: C25H31N3P+ MolecularWeight: 404.507501

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=NN(P2C3=CC=CC=C3)C4=CC=CC=C4)C1)[NH+]5CCCCC5)C

Isomeric SMILES

CC1(CC(=C2C(=NN(P2C3=CC=CC=C3)C4=CC=CC=C4)C1)[NH+]5CCCCC5)C

InChI

InChI=1S/C25H30N3P/c1-25(2)18-22-24(23(19-25)27-16-10-5-11-17-27)29(21-14-8-4-9-15-21)28(26-22)20-12-6-3-7-13-20/h3-4,6-9,12-15H,5,10-11,16-19H2,1-2H3/p+1