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

Systemtic Name: 4-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-2,5-dimethyl-benzaldehyde Openeye Name: 4-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-2,5-dimethyl-benzaldehyde CAS Name: 4-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]-1-piperazin-4-iumyl]-2,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-2,5-dimethylbenzaldehyde Traditional Name: 4-[4-[(1S)-1-(2,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]-2,5-dimethyl-benzaldehyde Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)[NH+]2CCN(CC2)C3=C(C=C(C(=C3)C)C=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H](C)[NH+]2CCN(CC2)C3=C(C=C(C(=C3)C)C=O)C)C

InChI

InChI=1S/C23H30N2O/c1-16-6-7-22(18(3)12-16)20(5)24-8-10-25(11-9-24)23-14-17(2)21(15-26)13-19(23)4/h6-7,12-15,20H,8-11H2,1-5H3/p+1/t20-/m0/s1