9-(4-ethylpiperazin-4-ium-1-yl)-5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazine

Systemtic Name: 9-(4-ethylpiperazin-4-ium-1-yl)-5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazine Openeye Name: 9-(4-ethylpiperazin-4-ium-1-yl)-5-(p-tolyl)benzimidazolo[2,1-a]phthalazine CAS Name: 9-(4-ethyl-1-piperazin-4-iumyl)-5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazine IUPAC Name: 9-(4-ethylpiperazin-4-ium-1-yl)-5-(4-methylphenyl)benzimidazolo[2,1-a]phthalazine Traditional Name: 9-(4-ethylpiperazin-4-ium-1-yl)-5-(p-tolyl)benzimidazolo[2,1-a]phthalazine Formula: C27H28N5+ MolecularWeight: 422.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C4N3N=C(C5=CC=CC=C54)C6=CC=C(C=C6)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C4N3N=C(C5=CC=CC=C54)C6=CC=C(C=C6)C

InChI

InChI=1S/C27H27N5/c1-3-30-14-16-31(17-15-30)21-12-13-24-25(18-21)32-27(28-24)23-7-5-4-6-22(23)26(29-32)20-10-8-19(2)9-11-20/h4-13,18H,3,14-17H2,1-2H3/p+1