6-ethoxy-4-oxidanylidene-N-[[3-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methyl]-1H-quinoline-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC(=CC=C3)C[N+]4(CCNCC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC(=CC=C3)C[N+]4(CCNCC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3/c1-2-38-26-11-12-29-27(18-26)30(36)28(20-33-29)31(37)34-19-24-9-6-10-25(17-24)22-35(15-13-32-14-16-35)21-23-7-4-3-5-8-23/h3-12,17-18,20,32H,2,13-16,19,21-22H2,1H3,(H-,33,34,36,37)/p+1