5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; propane-1,3-diamine

Systemtic Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; propane-1,3-diamine Openeye Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; propane-1,3-diamine CAS Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; propane-1,3-diamine IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; propane-1,3-diamine Traditional Name: (3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amine; 3-aminopropylamine Formula: C24H30N5+ MolecularWeight: 388.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3.C3H10N2/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;4-2-1-3-5/h3-13,23H,2,22H2,1H3;1-5H2/p+1