2-[(4-chlorophenyl)carbamoyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chlorophenyl)carbamoyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chlorophenyl)carbamoyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloroanilino)-oxomethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chlorophenyl)carbamoyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chlorophenyl)carbamoyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN5O2+ MolecularWeight: 400.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O2/c1-25(2)11-12-26(20(28)22-15-9-7-14(21)8-10-15)13-18-23-17-6-4-3-5-16(17)19(27)24-18/h3-10H,11-13H2,1-2H3,(H,22,28)(H,23,24,27)/p+1