2-[(Z)-(5-methoxy-1,2-dimethyl-2H-indol-3-ylidene)methyl]-3-(phenylmethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(Z)-(5-methoxy-1,2-dimethyl-2H-indol-3-ylidene)methyl]-3-(phenylmethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-benzyl-2-[(Z)-(5-methoxy-1,2-dimethyl-indolin-3-ylidene)methyl]-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(Z)-(5-methoxy-1,2-dimethyl-2H-indol-3-ylidene)methyl]-3-(phenylmethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-benzyl-2-[(Z)-(5-methoxy-1,2-dimethyl-2H-indol-3-ylidene)methyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-benzyl-2-[(Z)-(5-methoxy-1,2-dimethyl-indolin-3-ylidene)methyl]-4aH-quinazolin-3-ium-4-one Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=[N+](C(=O)C3C=CC=CC3=N2)CC4=CC=CC=C4)C5=C(N1C)C=CC(=C5)OC

Isomeric SMILES

CC1/C(=C\C2=[N+](C(=O)C3C=CC=CC3=N2)CC4=CC=CC=C4)/C5=C(N1C)C=CC(=C5)OC

InChI

InChI=1S/C27H26N3O2/c1-18-22(23-15-20(32-3)13-14-25(23)29(18)2)16-26-28-24-12-8-7-11-21(24)27(31)30(26)17-19-9-5-4-6-10-19/h4-16,18,21H,17H2,1-3H3/q+1