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

Systemtic Name: 3-[4-[[4-hexyl-4,5-dimethyl-3,6-bis(oxidanylidene)piperazin-4-ium-2-yl]methyl]phenyl]benzaldehyde Openeye Name: 3-[4-[(4-hexyl-4,5-dimethyl-3,6-dioxo-piperazin-4-ium-2-yl)methyl]phenyl]benzaldehyde CAS Name: 3-[4-[(4-hexyl-4,5-dimethyl-3,6-dioxo-2-piperazin-4-iumyl)methyl]phenyl]benzaldehyde IUPAC Name: 3-[4-[(4-hexyl-4,5-dimethyl-3,6-dioxopiperazin-4-ium-2-yl)methyl]phenyl]benzaldehyde Traditional Name: 3-[4-[(4-hexyl-3,6-diketo-4,5-dimethyl-piperazin-4-ium-2-yl)methyl]phenyl]benzaldehyde Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-4-5-6-7-15-28(3)19(2)25(30)27-24(26(28)31)17-20-11-13-22(14-12-20)23-10-8-9-21(16-23)18-29/h8-14,16,18-19,24H,4-7,15,17H2,1-3H3/p+1