3-ethyl-5-[2-(naphthalen-2-ylsulfonylamino)ethyl]-N2-phenyl-1-propyl-pyridin-1-ium-2,4-dicarboxamide chloride

Systemtic Name: 3-ethyl-5-[2-(naphthalen-2-ylsulfonylamino)ethyl]-N2-phenyl-1-propyl-pyridin-1-ium-2,4-dicarboxamide chloride Openeye Name: 3-ethyl-5-[2-(2-naphthylsulfonylamino)ethyl]-N2-phenyl-1-propyl-pyridin-1-ium-2,4-dicarboxamide chloride CAS Name: 3-ethyl-5-[2-(2-naphthalenylsulfonylamino)ethyl]-N2-phenyl-1-propylpyridin-1-ium-2,4-dicarboxamide chloride IUPAC Name: 3-ethyl-5-[2-(naphthalen-2-ylsulfonylamino)ethyl]-2-N-phenyl-1-propylpyridin-1-ium-2,4-dicarboxamide chloride Traditional Name: 3-ethyl-5-[2-(2-naphthylsulfonylamino)ethyl]-N-phenyl-1-propyl-pyridin-1-ium-2,4-dicarboxamide chloride Formula: C30H33ClN4O4S MolecularWeight: 581.12542

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N)CC)C(=O)NC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)N)CC)C(=O)NC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H32N4O4S.ClH/c1-3-18-34-20-23(16-17-32-39(37,38)25-15-14-21-10-8-9-11-22(21)19-25)27(29(31)35)26(4-2)28(34)30(36)33-24-12-6-5-7-13-24;/h5-15,19-20,32H,3-4,16-18H2,1-2H3,(H2-,31,33,35,36);1H