3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-prop-2-enyl-azanium

Systemtic Name: 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-prop-2-enyl-azanium Openeye Name: allyl-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl]-diethyl-ammonium CAS Name: 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-prop-2-enylammonium IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-prop-2-enylazanium Traditional Name: allyl-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl]-diethyl-ammonium Formula: C29H36N4+2 MolecularWeight: 440.62294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N4/c1-4-18-33(5-2,6-3)19-10-17-32-28-21-24(31)14-16-26(28)25-15-13-23(30)20-27(25)29(32)22-11-8-7-9-12-22/h4,7-9,11-16,20-21,31H,1,5-6,10,17-19,30H2,2-3H3/q+1/p+1