4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-2-methylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-methylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-2-methyl-benzaldehyde Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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