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

Systemtic Name: 2,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 2,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 2,5-dimethyl-4-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 2,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 2,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-16-14-21(17(2)13-20(16)15-24)23-11-9-22(10-12-23)18(3)19-7-5-4-6-8-19/h4-8,13-15,18H,9-12H2,1-3H3/p+1/t18-/m1/s1