N-[3-(azepan-1-ium-1-yl)propyl]-1-[(4-chlorophenyl)methyl]-2-oxidanylidene-quinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-[(4-chlorophenyl)methyl]-2-oxidanylidene-quinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-[(4-chlorophenyl)methyl]-2-oxo-quinoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-[(4-chlorophenyl)methyl]-2-oxo-4-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-[(4-chlorophenyl)methyl]-2-oxoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(4-chlorobenzyl)-2-keto-cinchoninamide Formula: C26H31ClN3O2+ MolecularWeight: 452.99624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O2/c27-21-12-10-20(11-13-21)19-30-24-9-4-3-8-22(24)23(18-25(30)31)26(32)28-14-7-17-29-15-5-1-2-6-16-29/h3-4,8-13,18H,1-2,5-7,14-17,19H2,(H,28,32)/p+1