methyl-(1,2-oxazol-3-ylmethyl)-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]azanium

Systemtic Name: methyl-(1,2-oxazol-3-ylmethyl)-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]azanium Openeye Name: isoxazol-3-ylmethyl-methyl-[[4-(2-thienylmethylamino)quinazolin-2-yl]methyl]ammonium CAS Name: 3-isoxazolylmethyl-methyl-[[4-(thiophen-2-ylmethylamino)-2-quinazolinyl]methyl]ammonium IUPAC Name: methyl-(1,2-oxazol-3-ylmethyl)-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]methyl]azanium Traditional Name: isoxazol-3-ylmethyl-methyl-[[4-(2-thenylamino)quinazolin-2-yl]methyl]ammonium Formula: C19H20N5OS+ MolecularWeight: 366.46

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NOC=C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=NOC=C1)CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CS4

InChI

InChI=1S/C19H19N5OS/c1-24(12-14-8-9-25-23-14)13-18-21-17-7-3-2-6-16(17)19(22-18)20-11-15-5-4-10-26-15/h2-10H,11-13H2,1H3,(H,20,21,22)/p+1