3-(azepan-1-ylcarbonyl)-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-methyl-2-[(4-methylphenoxy)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-4-pyridinone IUPAC Name: 3-(azepane-1-carbonyl)-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-pyridone Formula: C27H38N3O4+ MolecularWeight: 468.60832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=C(C(=O)C=C(N2CC[NH+]3CCOCC3)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O4/c1-21-7-9-23(10-8-21)34-20-24-26(27(32)29-11-5-3-4-6-12-29)25(31)19-22(2)30(24)14-13-28-15-17-33-18-16-28/h7-10,19H,3-6,11-18,20H2,1-2H3/p+1