9-(3-imidazol-1-ylpropyl)-3,4-dimethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-(3-imidazol-1-ylpropyl)-3,4-dimethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(3-imidazol-1-ylpropyl)-3,4-dimethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-[3-(1-imidazolyl)propyl]-3,4-dimethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(3-imidazol-1-ylpropyl)-3,4-dimethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(3-imidazol-1-ylpropyl)-3,4-dimethyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCCN4C=CN=C4)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC3=C2C[NH+](CO3)CCCN4C=CN=C4)C

InChI

InChI=1S/C19H21N3O3/c1-13-14(2)19(23)25-18-15(13)4-5-17-16(18)10-22(12-24-17)8-3-7-21-9-6-20-11-21/h4-6,9,11H,3,7-8,10,12H2,1-2H3/p+1