2-(1H-indol-5-yl)-7-methoxy-6-(1-oxidanidylpyridin-1-ium-3-yl)-1,4,4a,8a-tetrahydroquinazoline

Systemtic Name: 2-(1H-indol-5-yl)-7-methoxy-6-(1-oxidanidylpyridin-1-ium-3-yl)-1,4,4a,8a-tetrahydroquinazoline Openeye Name: 2-(1H-indol-5-yl)-7-methoxy-6-(1-oxidopyridin-1-ium-3-yl)-1,4,4a,8a-tetrahydroquinazoline CAS Name: 2-(1H-indol-5-yl)-7-methoxy-6-(1-oxido-3-pyridin-1-iumyl)-1,4,4a,8a-tetrahydroquinazoline IUPAC Name: 2-(1H-indol-5-yl)-7-methoxy-6-(1-oxidopyridin-1-ium-3-yl)-1,4,4a,8a-tetrahydroquinazoline Traditional Name: 2-(1H-indol-5-yl)-7-methoxy-6-(1-oxidopyridin-1-ium-3-yl)-1,4,4a,8a-tetrahydroquinazoline Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2C(CN=C(N2)C3=CC4=C(C=C3)NC=C4)C=C1C5=C[N+](=CC=C5)[O-]

Isomeric SMILES

COC1=CC2C(CN=C(N2)C3=CC4=C(C=C3)NC=C4)C=C1C5=C[N+](=CC=C5)[O-]

InChI

InChI=1S/C22H20N4O2/c1-28-21-11-20-17(10-18(21)16-3-2-8-26(27)13-16)12-24-22(25-20)15-4-5-19-14(9-15)6-7-23-19/h2-11,13,17,20,23H,12H2,1H3,(H,24,25)