(6R)-4-[(4-dimethylaminophenyl)methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one

Systemtic Name: (6R)-4-[(4-dimethylaminophenyl)methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Openeye Name: (6R)-4-[(4-dimethylaminophenyl)methyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one CAS Name: (6R)-4-[(4-dimethylaminophenyl)methyl]-1-(3-methoxyphenyl)-6-methyl-2-piperazin-4-iumone IUPAC Name: (6R)-4-[(4-dimethylaminophenyl)methyl]-1-(3-methoxyphenyl)-6-methylpiperazin-4-ium-2-one Traditional Name: (6R)-4-[4-(dimethylamino)benzyl]-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H27N3O2/c1-16-13-23(14-17-8-10-18(11-9-17)22(2)3)15-21(25)24(16)19-6-5-7-20(12-19)26-4/h5-12,16H,13-15H2,1-4H3/p+1/t16-/m1/s1