2-[5-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-1,2-dihydropyrrol-1-ium-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-1,2-dihydropyrrol-1-ium-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-1,2-dihydropyrrol-1-ium-4-yl]-1H-quinazolin-4-one Traditional Name: 2-(2-amino-1-homoveratryl-4-keto-2-pyrrolin-1-ium-3-yl)-1H-quinazolin-4-one Formula: C22H23N4O4+ MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH+]2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH+]2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H22N4O4/c1-29-17-8-7-13(11-18(17)30-2)9-10-26-12-16(27)19(20(26)23)21-24-15-6-4-3-5-14(15)22(28)25-21/h3-8,11H,9-10,12,23H2,1-2H3,(H,24,25,28)/p+1