3-(4-methylphenyl)-1-(4-phenylphenyl)-2,5,6,7,8,9-hexahydropyrazolo[1,2-a][1,2]diazepin-4-ium-1-ol

Systemtic Name: 3-(4-methylphenyl)-1-(4-phenylphenyl)-2,5,6,7,8,9-hexahydropyrazolo[1,2-a][1,2]diazepin-4-ium-1-ol Openeye Name: 1-(4-phenylphenyl)-3-(p-tolyl)-2,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepin-4-ium-1-ol CAS Name: 3-(4-methylphenyl)-1-(4-phenylphenyl)-2,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepin-4-ium-1-ol IUPAC Name: 3-(4-methylphenyl)-1-(4-phenylphenyl)-2,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepin-4-ium-1-ol Traditional Name: 1-(4-phenylphenyl)-3-(p-tolyl)-2,5,6,7,8,9-hexahydropyrazolo[1,2-a]diazepin-4-ium-1-ol Formula: C27H29N2O+ MolecularWeight: 397.53196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+]3CCCCCN3C(C2)(C4=CC=C(C=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+]3CCCCCN3C(C2)(C4=CC=C(C=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H29N2O/c1-21-10-12-24(13-11-21)26-20-27(30,29-19-7-3-6-18-28(26)29)25-16-14-23(15-17-25)22-8-4-2-5-9-22/h2,4-5,8-17,30H,3,6-7,18-20H2,1H3/q+1