4-(6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphol-3-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphol-3-yl)-N,N-dimethyl-aniline Openeye Name: 4-(6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphol-3-yl)-N,N-dimethyl-aniline CAS Name: 4-[6,6-dimethyl-2-phenyl-4-(1-piperidin-1-iumyl)-5,7-dihydro-1,2,3-benzodiazaphosphol-3-yl]-N,N-dimethylaniline IUPAC Name: 4-(6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphol-3-yl)-N,N-dimethylaniline Traditional Name: [4-(6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-5,7-dihydro-1,2,3-benzodiazaphosphol-3-yl)phenyl]-dimethyl-amine Formula: C27H36N4P+ MolecularWeight: 447.575301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N4P/c1-27(2)19-24-26(25(20-27)30-17-9-6-10-18-30)32(23-15-13-21(14-16-23)29(3)4)31(28-24)22-11-7-5-8-12-22/h5,7-8,11-16H,6,9-10,17-20H2,1-4H3/p+1