5-(4-methoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-methoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione Openeye Name: 5-(4-methoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione CAS Name: 5-(4-methoxyphenyl)-2-[3-(4-morpholin-4-iumyl)propyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-methoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-dione Traditional Name: 5-(4-methoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyliminomethyl)cyclohexane-1,3-quinone Formula: C21H29N2O4+ MolecularWeight: 373.46596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O4/c1-26-18-5-3-16(4-6-18)17-13-20(24)19(21(25)14-17)15-22-7-2-8-23-9-11-27-12-10-23/h3-6,15,17,19H,2,7-14H2,1H3/p+1