(2R,3R,5S,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-piperidin-1-ium-4-one

Systemtic Name: (2R,3R,5S,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-piperidin-1-ium-4-one Openeye Name: (2R,3R,5S,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-piperidin-1-ium-4-one CAS Name: (2R,3R,5S,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-4-piperidin-1-iumone IUPAC Name: (2R,3R,5S,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-dimethylpiperidin-1-ium-4-one Traditional Name: (2R,3R,5S,6R)-2,6-bis(4-dimethylaminophenyl)-3,5-dimethyl-piperidin-1-ium-4-one Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1=O)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@@H]1[C@@H]([NH2+][C@H]([C@@H](C1=O)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H31N3O/c1-15-21(17-7-11-19(12-8-17)25(3)4)24-22(16(2)23(15)27)18-9-13-20(14-10-18)26(5)6/h7-16,21-22,24H,1-6H3/p+1/t15-,16+,21-,22-/m1/s1