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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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;1-2-3(4)5/h3-13,23H,2,22H2,1H3;3H,2,4-5H2,1H3/p+1