[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-25(12-19-23-18-10-5-4-9-17(18)21(28)24-19)13-20(27)22-16-8-6-7-15(11-16)14(2)26/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,24,28)/p+1