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

Systemtic Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 4-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C=O

Isomeric SMILES

C[C@H](C1=CC(=C(C=C1)OC)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C21H26N2O3/c1-16(18-6-9-20(25-2)21(14-18)26-3)22-10-12-23(13-11-22)19-7-4-17(15-24)5-8-19/h4-9,14-16H,10-13H2,1-3H3/p+1/t16-/m1/s1