6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-(1-phenylpiperazin-1-ium-1-yl)quinoline-3-carboxamide

Systemtic Name: 6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-(1-phenylpiperazin-1-ium-1-yl)quinoline-3-carboxamide Openeye Name: 1-benzyl-6-ethoxy-2-methyl-4-oxo-5-(1-phenylpiperazin-1-ium-1-yl)quinoline-3-carboxamide CAS Name: 6-ethoxy-2-methyl-4-oxo-1-(phenylmethyl)-5-(1-phenyl-1-piperazin-1-iumyl)-3-quinolinecarboxamide IUPAC Name: 1-benzyl-6-ethoxy-2-methyl-4-oxo-5-(1-phenylpiperazin-1-ium-1-yl)quinoline-3-carboxamide Traditional Name: 1-benzyl-6-ethoxy-4-keto-2-methyl-5-(1-phenylpiperazin-1-ium-1-yl)quinoline-3-carboxamide Formula: C30H33N4O3+ MolecularWeight: 497.60802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)[N+]4(CCNCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)[N+]4(CCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c1-3-37-25-15-14-24-27(28(25)34(18-16-32-17-19-34)23-12-8-5-9-13-23)29(35)26(30(31)36)21(2)33(24)20-22-10-6-4-7-11-22/h4-15,32H,3,16-20H2,1-2H3,(H-,31,36)/p+1