5-(3-iodanylpropyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine

Systemtic Name: 5-(3-iodanylpropyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine Openeye Name: 5-(3-iodopropyl)-6-phenyl-phenanthridin-5-ium-3,8-diamine CAS Name: 5-(3-iodopropyl)-6-phenylphenanthridin-5-ium-3,8-diamine IUPAC Name: 5-(3-iodopropyl)-6-phenylphenanthridin-5-ium-3,8-diamine Traditional Name: [3-amino-5-(3-iodopropyl)-6-phenyl-phenanthridin-5-ium-8-yl]amine Formula: C22H21IN3+ MolecularWeight: 454.32671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20IN3/c23-11-4-12-26-21-14-17(25)8-10-19(21)18-9-7-16(24)13-20(18)22(26)15-5-2-1-3-6-15/h1-3,5-10,13-14,25H,4,11-12,24H2/p+1