3-[4-[[4,5-dimethyl-4-octyl-3,6-bis(oxidanylidene)piperazin-4-ium-2-yl]methyl]phenyl]benzaldehyde

Systemtic Name: 3-[4-[[4,5-dimethyl-4-octyl-3,6-bis(oxidanylidene)piperazin-4-ium-2-yl]methyl]phenyl]benzaldehyde Openeye Name: 3-[4-[(4,5-dimethyl-4-octyl-3,6-dioxo-piperazin-4-ium-2-yl)methyl]phenyl]benzaldehyde CAS Name: 3-[4-[(4,5-dimethyl-4-octyl-3,6-dioxo-2-piperazin-4-iumyl)methyl]phenyl]benzaldehyde IUPAC Name: 3-[4-[(4,5-dimethyl-4-octyl-3,6-dioxopiperazin-4-ium-2-yl)methyl]phenyl]benzaldehyde Traditional Name: 3-[4-[(3,6-diketo-4,5-dimethyl-4-octyl-piperazin-4-ium-2-yl)methyl]phenyl]benzaldehyde Formula: C28H37N2O3+ MolecularWeight: 449.60498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C(C(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=CC=C3)C=O)C)C

Isomeric SMILES

CCCCCCCC[N+]1(C(C(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=CC=C3)C=O)C)C

InChI

InChI=1S/C28H36N2O3/c1-4-5-6-7-8-9-17-30(3)21(2)27(32)29-26(28(30)33)19-22-13-15-24(16-14-22)25-12-10-11-23(18-25)20-31/h10-16,18,20-21,26H,4-9,17,19H2,1-3H3/p+1