4-azanyl-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-ylidene]-6-methoxy-1,3-dihydroquinazolin-7-one

Systemtic Name: 4-azanyl-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-ylidene]-6-methoxy-1,3-dihydroquinazolin-7-one Openeye Name: 4-amino-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-ylidene]-6-methoxy-1,3-dihydroquinazolin-7-one CAS Name: 4-amino-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumylidene]-6-methoxy-1,3-dihydroquinazolin-7-one IUPAC Name: 4-amino-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-ylidene]-6-methoxy-1,3-dihydroquinazolin-7-one Traditional Name: 4-amino-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-ylidene]-6-methoxy-1,3-dihydroquinazolin-7-one Formula: C22H24N5O5+ MolecularWeight: 438.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NC(=[N+]3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)NC2=CC1=O)N

Isomeric SMILES

COC1=CC2=C(NC(=[N+]3CCN(CC3)C(=O)[C@H]4COC5=CC=CC=C5O4)NC2=CC1=O)N

InChI

InChI=1S/C22H23N5O5/c1-30-18-10-13-14(11-15(18)28)24-22(25-20(13)23)27-8-6-26(7-9-27)21(29)19-12-31-16-4-2-3-5-17(16)32-19/h2-5,10-11,19H,6-9,12H2,1H3,(H3,23,24,25,28)/p+1/t19-/m1/s1