4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Formula: C22H29N2O3+ MolecularWeight: 369.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)C(C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)[C@H](C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O3/c1-16-13-18(15-25)5-7-20(16)24-11-9-23(10-12-24)17(2)19-6-8-21(26-3)22(14-19)27-4/h5-8,13-15,17H,9-12H2,1-4H3/p+1/t17-/m1/s1