N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(4-chlorophenyl)methyl]-2-oxidanylidene-quinoline-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(4-chlorophenyl)methyl]-2-oxidanylidene-quinoline-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(4-chlorophenyl)methyl]-2-oxo-quinoline-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-1-[(4-chlorophenyl)methyl]-2-oxo-4-quinolinecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(4-chlorophenyl)methyl]-2-oxoquinoline-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-(4-chlorobenzyl)-2-keto-cinchoninamide Formula: C25H29ClN3O2+ MolecularWeight: 438.96966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCNC(=O)C2=CC(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCNC(=O)C2=CC(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O2/c26-20-11-9-19(10-12-20)18-29-23-8-4-3-7-21(23)22(17-24(29)30)25(31)27-13-16-28-14-5-1-2-6-15-28/h3-4,7-12,17H,1-2,5-6,13-16,18H2,(H,27,31)/p+1