[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N4O4/c1-25(12-19-23-16-6-3-2-5-15(16)21(27)24-19)13-20(26)22-14-7-8-17-18(11-14)29-10-4-9-28-17/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,22,26)(H,23,24,27)/p+1