6-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-homoveratryl-4aH-quinazolin-3-ium-4-one Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CN=C3C=CC(=CC3C2=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CN=C3C=CC(=CC3C2=O)N)OC

InChI

InChI=1S/C18H20N3O3/c1-23-16-6-3-12(9-17(16)24-2)7-8-21-11-20-15-5-4-13(19)10-14(15)18(21)22/h3-6,9-11,14H,7-8,19H2,1-2H3/q+1