2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(2S)-2-methylolpiperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCC3CO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCC[C@H]3CO)OC

InChI

InChI=1S/C17H23N3O4/c1-23-14-7-12-13(8-15(14)24-2)18-16(19-17(12)22)9-20-6-4-3-5-11(20)10-21/h7-8,11,21H,3-6,9-10H2,1-2H3,(H,18,19,22)/p+1/t11-/m0/s1