4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 4-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C25H27N2O2+ MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)C=O

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)C=O

InChI

InChI=1S/C25H26N2O2/c1-20(22-9-13-25(14-10-22)29-24-5-3-2-4-6-24)26-15-17-27(18-16-26)23-11-7-21(19-28)8-12-23/h2-14,19-20H,15-18H2,1H3/p+1/t20-/m1/s1