4-[6-methyl-2-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]quinazolin-4-yl]thiomorpholine

Systemtic Name: 4-[6-methyl-2-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]quinazolin-4-yl]thiomorpholine Openeye Name: 4-[6-methyl-2-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]quinazolin-4-yl]thiomorpholine CAS Name: 4-[6-methyl-2-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-4-quinazolinyl]thiomorpholine IUPAC Name: 4-[6-methyl-2-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]quinazolin-4-yl]thiomorpholine Traditional Name: 4-[6-methyl-2-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]quinazolin-4-yl]thiomorpholine Formula: C24H30N5OS+ MolecularWeight: 436.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C24H29N5OS/c1-18-4-5-22-21(15-18)24(29-11-13-31-14-12-29)27-23(26-22)17-28-9-6-19(7-10-28)30-20-3-2-8-25-16-20/h2-5,8,15-16,19H,6-7,9-14,17H2,1H3/p+1