3-[3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[3-(2-benzylbenzimidazol-1-yl)propyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-[3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[3-(2-benzylbenzimidazol-1-yl)propyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-[3-(2-benzylbenzimidazol-1-yl)propyl]-4aH-quinazolin-3-ium-4-one Formula: C25H23N4O+ MolecularWeight: 395.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CCC[N+]4=CN=C5C=CC=CC5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CCC[N+]4=CN=C5C=CC=CC5C4=O

InChI

InChI=1S/C25H23N4O/c30-25-20-11-4-5-12-21(20)26-18-28(25)15-8-16-29-23-14-7-6-13-22(23)27-24(29)17-19-9-2-1-3-10-19/h1-7,9-14,18,20H,8,15-17H2/q+1