2-[1-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[(6-methyl-4-thiomorpholino-quinazolin-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole CAS Name: 2-[1-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolinyl)methyl]-4-piperidin-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-[1-[(6-methyl-4-thiomorpholin-4-ylquinazolin-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-[(6-methyl-4-thiomorpholino-quinazolin-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Formula: C26H30N5OS+ MolecularWeight: 460.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+]4CCC(CC4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+]4CCC(CC4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H29N5OS/c1-18-6-7-21-20(16-18)25(31-12-14-33-15-13-31)29-24(27-21)17-30-10-8-19(9-11-30)26-28-22-4-2-3-5-23(22)32-26/h2-7,16,19H,8-15,17H2,1H3/p+1