5-[3-(pentan-3-ylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine

Systemtic Name: 5-[3-(pentan-3-ylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine Openeye Name: 5-[3-(1-ethylpropylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine CAS Name: 5-[3-(pentan-3-ylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine IUPAC Name: 5-[3-(pentan-3-ylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-(1-ethylpropyl)amine Formula: C27H33N4+ MolecularWeight: 413.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

Isomeric SMILES

CCC(CC)NCCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N

InChI

InChI=1S/C27H32N4/c1-3-22(4-2)30-15-8-16-31-26-18-21(29)12-14-24(26)23-13-11-20(28)17-25(23)27(31)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,29-30H,3-4,8,15-16,28H2,1-2H3/p+1