3-(4-ethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-morpholin-4-ium-4-ylethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-morpholin-4-ium-4-ylethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-(5-methylisoxazol-3-yl)-2-(2-morpholin-4-ium-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-(5-methyl-3-isoxazolyl)-2-[2-(4-morpholin-4-iumyl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-morpholin-4-ium-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-N-(5-methylisoxazol-3-yl)-2-(2-morpholin-4-ium-4-ylethyl)-3-p-phenetyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H33N4O5+ MolecularWeight: 505.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4)C(=O)NC5=NOC(=C5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4)C(=O)NC5=NOC(=C5)C

InChI

InChI=1S/C28H32N4O5/c1-3-36-21-10-8-20(9-11-21)26-25(27(33)29-24-18-19(2)37-30-24)22-6-4-5-7-23(22)28(34)32(26)13-12-31-14-16-35-17-15-31/h4-11,18,25-26H,3,12-17H2,1-2H3,(H,29,30,33)/p+1