4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde

Systemtic Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Openeye Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde CAS Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methylbenzaldehyde Traditional Name: 4-[4-[(1R)-1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Formula: C21H27N2O2+ MolecularWeight: 339.45128

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-16-14-18(15-24)4-9-21(16)23-12-10-22(11-13-23)17(2)19-5-7-20(25-3)8-6-19/h4-9,14-15,17H,10-13H2,1-3H3/p+1/t17-/m1/s1