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

Systemtic Name: 6-ethoxy-2-methyl-5-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 1-benzyl-6-ethoxy-2-methyl-5-(1-methylpiperazin-1-ium-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 6-ethoxy-2-methyl-5-(1-methyl-1-piperazin-1-iumyl)-4-oxo-1-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-benzyl-6-ethoxy-2-methyl-5-(1-methylpiperazin-1-ium-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-benzyl-6-ethoxy-4-keto-2-methyl-5-(1-methylpiperazin-1-ium-1-yl)quinoline-3-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-4-32-20-11-10-19-22(23(20)29(3)14-12-27-13-15-29)24(30)21(25(26)31)17(2)28(19)16-18-8-6-5-7-9-18/h5-11,27H,4,12-16H2,1-3H3,(H-,26,31)/p+1