(3R)-3-methoxy-6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphole

Systemtic Name: (3R)-3-methoxy-6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphole Openeye Name: (3R)-3-methoxy-6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-3-thioxo-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphole CAS Name: (3R)-3-methoxy-6,6-dimethyl-2-phenyl-4-(1-piperidin-1-iumyl)-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphole IUPAC Name: (3R)-3-methoxy-6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-3-sulfanylidene-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphole Traditional Name: (3R)-3-methoxy-6,6-dimethyl-2-phenyl-4-piperidin-1-ium-1-yl-3-thioxo-5,7-dihydro-1,2,3$l^{5}-benzodiazaphosphole Formula: C20H29N3OPS+ MolecularWeight: 390.502521

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(=NN(P2(=S)OC)C3=CC=CC=C3)C1)[NH+]4CCCCC4)C

Isomeric SMILES

CC1(CC(=C2C(=NN([P@@]2(=S)OC)C3=CC=CC=C3)C1)[NH+]4CCCCC4)C

InChI

InChI=1S/C20H28N3OPS/c1-20(2)14-17-19(18(15-20)22-12-8-5-9-13-22)25(26,24-3)23(21-17)16-10-6-4-7-11-16/h4,6-7,10-11H,5,8-9,12-15H2,1-3H3/p+1/t25-/m1/s1