4-[1-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperidin-1-ium-4-yl]thiomorpholin-4-ium

Systemtic Name: 4-[1-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C26H41N5OS+2 MolecularWeight: 471.70164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH+]4CCC(CC4)[NH+]5CCSCC5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH+]4CCC(CC4)[NH+]5CCSCC5

InChI

InChI=1S/C26H39N5OS/c1-3-32-23-6-7-25-24(19-23)20(2)27-26(28-25)31-11-4-5-21(10-14-31)29-12-8-22(9-13-29)30-15-17-33-18-16-30/h6-7,19,21-22H,3-5,8-18H2,1-2H3/p+2/t21-/m0/s1