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

Systemtic Name: 6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-[1-(phenylmethyl)piperazin-1-ium-1-yl]quinoline-3-carboxamide Openeye Name: 1-benzyl-5-(1-benzylpiperazin-1-ium-1-yl)-6-ethoxy-2-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-ethoxy-2-methyl-4-oxo-1-(phenylmethyl)-5-[1-(phenylmethyl)-1-piperazin-1-iumyl]-3-quinolinecarboxamide IUPAC Name: 1-benzyl-5-(1-benzylpiperazin-1-ium-1-yl)-6-ethoxy-2-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 1-benzyl-5-(1-benzylpiperazin-1-ium-1-yl)-6-ethoxy-4-keto-2-methyl-quinoline-3-carboxamide Formula: C31H35N4O3+ MolecularWeight: 511.6346

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3/c1-3-38-26-15-14-25-28(29(26)35(18-16-33-17-19-35)21-24-12-8-5-9-13-24)30(36)27(31(32)37)22(2)34(25)20-23-10-6-4-7-11-23/h4-15,33H,3,16-21H2,1-2H3,(H-,32,37)/p+1