3-azanyl-2-[2-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)butyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-azanyl-2-[2-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)butyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-amino-2-[2-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)butyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-amino-2-[2-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)butyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-amino-2-[2-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)butyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-amino-2-[2-(2,5-dimethoxyphenyl)-4-(4-methoxyphenyl)butyl]-4aH-quinazolin-3-ium-4-one Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CC2=[N+](C(=O)C3C=CC=CC3=N2)N)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CC2=[N+](C(=O)C3C=CC=CC3=N2)N)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C27H30N3O4/c1-32-20-12-9-18(10-13-20)8-11-19(23-17-21(33-2)14-15-25(23)34-3)16-26-29-24-7-5-4-6-22(24)27(31)30(26)28/h4-7,9-10,12-15,17,19,22H,8,11,16,28H2,1-3H3/q+1