6-(4-propan-2-ylphenyl)-5-prop-2-enyl-phenanthridin-5-ium-3,8-diamine chloride

Systemtic Name: 6-(4-propan-2-ylphenyl)-5-prop-2-enyl-phenanthridin-5-ium-3,8-diamine chloride Openeye Name: 5-allyl-6-(4-isopropylphenyl)phenanthridin-5-ium-3,8-diamine chloride CAS Name: 6-(4-propan-2-ylphenyl)-5-prop-2-enylphenanthridin-5-ium-3,8-diamine chloride IUPAC Name: 6-(4-propan-2-ylphenyl)-5-prop-2-enylphenanthridin-5-ium-3,8-diamine chloride Traditional Name: (5-allyl-3-amino-6-p-cumenyl-phenanthridin-5-ium-8-yl)amine chloride Formula: C25H26ClN3 MolecularWeight: 403.94704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CC=C)N)N.[Cl-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CC=C)N)N.[Cl-]

InChI

InChI=1S/C25H25N3.ClH/c1-4-13-28-24-15-20(27)10-12-22(24)21-11-9-19(26)14-23(21)25(28)18-7-5-17(6-8-18)16(2)3;/h4-12,14-16,27H,1,13,26H2,2-3H3;1H