[(3S)-1-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-2-yl)methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3S)-1-[(6-methyl-4-thiomorpholin-4-yl-quinazolin-2-yl)methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-1-[(6-methyl-4-thiomorpholino-quinazolin-2-yl)methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone CAS Name: [(3S)-1-[(6-methyl-4-thiomorpholin-4-yl-2-quinazolinyl)methyl]-3-piperidin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-1-[(6-methyl-4-thiomorpholin-4-ylquinazolin-2-yl)methyl]piperidin-1-ium-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-1-[(6-methyl-4-thiomorpholino-quinazolin-2-yl)methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone Formula: C25H30N5OS+ MolecularWeight: 448.6036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+]4CCCC(C4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N3CCSCC3)C[NH+]4CCC[C@@H](C4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H29N5OS/c1-18-6-7-22-21(14-18)25(30-10-12-32-13-11-30)28-23(27-22)17-29-9-3-5-20(16-29)24(31)19-4-2-8-26-15-19/h2,4,6-8,14-15,20H,3,5,9-13,16-17H2,1H3/p+1/t20-/m0/s1