6,7-dimethoxy-2-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-4-pyrrolidin-1-yl-quinazoline

Systemtic Name: 6,7-dimethoxy-2-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-4-pyrrolidin-1-yl-quinazoline Openeye Name: 6,7-dimethoxy-2-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-4-pyrrolidin-1-yl-quinazoline CAS Name: 6,7-dimethoxy-2-[[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]-4-(1-pyrrolidinyl)quinazoline IUPAC Name: 6,7-dimethoxy-2-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-4-pyrrolidin-1-ylquinazoline Traditional Name: 6,7-dimethoxy-2-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-4-pyrrolidino-quinazoline Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCCCC3C4=CC=CC=N4)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C[NH+]3CCCC[C@H]3C4=CC=CC=N4)N5CCCC5)OC

InChI

InChI=1S/C25H31N5O2/c1-31-22-15-18-20(16-23(22)32-2)27-24(28-25(18)29-12-7-8-13-29)17-30-14-6-4-10-21(30)19-9-3-5-11-26-19/h3,5,9,11,15-16,21H,4,6-8,10,12-14,17H2,1-2H3/p+1/t21-/m0/s1