2,5-dimethyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 2,5-dimethyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 2,5-dimethyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 2,5-dimethyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 2,5-dimethyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 2,5-dimethyl-4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=O)C)N2CC[NH+](CC2)C(C)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1C=O)C)N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-20-18-27(21(2)17-24(20)19-30)29-15-13-28(14-16-29)22(3)23-9-11-26(12-10-23)31-25-7-5-4-6-8-25/h4-12,17-19,22H,13-16H2,1-3H3/p+1/t22-/m1/s1