3-methyl-4-[4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 3-methyl-4-[4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-[4-[(1R)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde CAS Name: 3-methyl-4-[4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 3-methyl-4-[4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 3-methyl-4-[4-[(1R)-1-p-cumenylethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)C(C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CC[NH+](CC2)[C@H](C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H30N2O/c1-17(2)21-6-8-22(9-7-21)19(4)24-11-13-25(14-12-24)23-10-5-20(16-26)15-18(23)3/h5-10,15-17,19H,11-14H2,1-4H3/p+1/t19-/m1/s1