N-[2-[3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propylamino]ethyl]-4-iodanyl-benzamide

Systemtic Name: N-[2-[3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propylamino]ethyl]-4-iodanyl-benzamide Openeye Name: N-[2-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propylamino]ethyl]-4-iodo-benzamide CAS Name: N-[2-[3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propylamino]ethyl]-4-iodobenzamide IUPAC Name: N-[2-[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propylamino]ethyl]-4-iodobenzamide Traditional Name: N-[2-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propylamino]ethyl]-4-iodo-benzamide Formula: C31H31IN5O+ MolecularWeight: 616.51521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CCCNCCNC(=O)C5=CC=C(C=C5)I)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CCCNCCNC(=O)C5=CC=C(C=C5)I)N)N

InChI

InChI=1S/C31H30IN5O/c32-23-9-7-22(8-10-23)31(38)36-17-16-35-15-4-18-37-29-20-25(34)12-14-27(29)26-13-11-24(33)19-28(26)30(37)21-5-2-1-3-6-21/h1-3,5-14,19-20,34-35H,4,15-18,33H2,(H,36,38)/p+1