5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; 3-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; 3-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine; 3-(p-tolylsulfonylamino)propanoic acid CAS Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; 3-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine; 3-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amine; 3-(tosylamino)propionic acid Formula: C31H33N4O4S+ MolecularWeight: 557.68312

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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.CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H19N3.C10H13NO4S/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;1-8-2-4-9(5-3-8)16(14,15)11-7-6-10(12)13/h3-13,23H,2,22H2,1H3;2-5,11H,6-7H2,1H3,(H,12,13)/p+1