4-acetamido-3-ethyl-1-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-1-ium-2-carboxamide

Systemtic Name: 4-acetamido-3-ethyl-1-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-1-ium-2-carboxamide Openeye Name: 4-acetamido-3-ethyl-1-phenyl-5-[4-(2-quinolylmethoxy)phenyl]pyridin-1-ium-2-carboxamide CAS Name: 4-acetamido-3-ethyl-1-phenyl-5-[4-(2-quinolinylmethoxy)phenyl]-2-pyridin-1-iumcarboxamide IUPAC Name: 4-acetamido-3-ethyl-1-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-1-ium-2-carboxamide Traditional Name: 4-acetamido-3-ethyl-1-phenyl-5-[4-(2-quinolylmethoxy)phenyl]pyridin-1-ium-2-carboxamide Formula: C32H29N4O3+ MolecularWeight: 517.59766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C[N+](=C1C(=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)NC(=O)C

Isomeric SMILES

CCC1=C(C(=C[N+](=C1C(=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)NC(=O)C

InChI

InChI=1S/C32H28N4O3/c1-3-27-30(34-21(2)37)28(19-36(31(27)32(33)38)25-10-5-4-6-11-25)22-14-17-26(18-15-22)39-20-24-16-13-23-9-7-8-12-29(23)35-24/h4-19H,3,20H2,1-2H3,(H2,33,38)/p+1