4-[[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(7-chloranylquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(7-chloro-4-quinazolinyl)-1-piperazin-1-iumyl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(7-chloroquinazolin-4-yl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C18H21ClN5O+ MolecularWeight: 358.84524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C18H20ClN5O/c1-12-16(13(2)25-22-12)10-23-5-7-24(8-6-23)18-15-4-3-14(19)9-17(15)20-11-21-18/h3-4,9,11H,5-8,10H2,1-2H3/p+1