4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]-3,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3,5-dimethyl-benzaldehyde Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CC[NH+](CC2)C(C)C3=CC(=C(C=C3)OC)OC)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CC[NH+](CC2)[C@H](C)C3=CC(=C(C=C3)OC)OC)C)C=O

InChI

InChI=1S/C23H30N2O3/c1-16-12-19(15-26)13-17(2)23(16)25-10-8-24(9-11-25)18(3)20-6-7-21(27-4)22(14-20)28-5/h6-7,12-15,18H,8-11H2,1-5H3/p+1/t18-/m1/s1