(6-chloranylquinazolin-4-yl)-(methylamino)-(4-oxidanyl-4-oxidanylidene-butyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (6-chloranylquinazolin-4-yl)-(methylamino)-(4-oxidanyl-4-oxidanylidene-butyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (6-chloroquinazolin-4-yl)-(4-hydroxy-4-oxo-butyl)-(methylamino)-(3-pyridylmethyl)ammonium CAS Name: (6-chloro-4-quinazolinyl)-(4-hydroxy-4-oxobutyl)-(methylamino)-(3-pyridinylmethyl)ammonium IUPAC Name: (6-chloroquinazolin-4-yl)-(4-hydroxy-4-oxobutyl)-(methylamino)-(pyridin-3-ylmethyl)azanium Traditional Name: (6-chloroquinazolin-4-yl)-(4-hydroxy-4-keto-butyl)-(methylamino)-(3-pyridylmethyl)ammonium Formula: C19H21ClN5O2+ MolecularWeight: 386.85534

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+](CCCC(=O)O)(CC1=CN=CC=C1)C2=NC=NC3=C2C=C(C=C3)Cl

Isomeric SMILES

CN[N+](CCCC(=O)O)(CC1=CN=CC=C1)C2=NC=NC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN5O2/c1-21-25(9-3-5-18(26)27,12-14-4-2-8-22-11-14)19-16-10-15(20)6-7-17(16)23-13-24-19/h2,4,6-8,10-11,13,21H,3,5,9,12H2,1H3/p+1