N-[3-[[(2Z)-2-hydroxyiminoethanoyl]amino]propyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide

Systemtic Name: N-[3-[[(2Z)-2-hydroxyiminoethanoyl]amino]propyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide Openeye Name: N-[3-[[(2Z)-2-hydroxyiminoacetyl]amino]propyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide CAS Name: N-[3-[[(2Z)-2-hydroxyimino-1-oxoethyl]amino]propyl]-1-methyl-2-phenyl-4-quinolin-1-iumcarboxamide IUPAC Name: N-[3-[[(2Z)-2-hydroxyiminoacetyl]amino]propyl]-1-methyl-2-phenylquinolin-1-ium-4-carboxamide Traditional Name: N-[3-[[(2Z)-2-hydroximinoacetyl]amino]propyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)NCCCNC(=O)C=NO)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)NCCCNC(=O)/C=N\O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-26-19-11-6-5-10-17(19)18(14-20(26)16-8-3-2-4-9-16)22(28)24-13-7-12-23-21(27)15-25-29/h2-6,8-11,14-15H,7,12-13H2,1H3,(H2-,23,24,27,28,29)/p+1