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

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

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O3/c1-2-37-25-11-12-28-26(18-25)29(35)27(20-32-28)30(36)33-19-22-7-6-8-23(17-22)21-34(15-13-31-14-16-34)24-9-4-3-5-10-24/h3-12,17-18,20,31H,2,13-16,19,21H2,1H3,(H-,32,33,35,36)/p+1