1-chloranylpropane; 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; propan-1-amine

Systemtic Name: 1-chloranylpropane; 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; propan-1-amine Openeye Name: 1-chloropropane; 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; propan-1-amine CAS Name: 1-chloropropane; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; 1-propanamine IUPAC Name: 1-chloropropane; 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; propan-1-amine Traditional Name: (3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amine; 1-chloropropane; propylamine Formula: C27H36ClN4+ MolecularWeight: 452.05454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3.C3H7Cl.C3H9N/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;2*1-2-3-4/h3-13,23H,2,22H2,1H3;2-3H2,1H3;2-4H2,1H3/p+1