N-cyclopropyl-2-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-[2-(benzylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazin-4-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[4-[2-(benzylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-cyclopropyl-cinchoninamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)N4CC[NH+](CC4)CC(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)N4CC[NH+](CC4)CC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c32-25(27-17-19-6-2-1-3-7-19)18-30-12-14-31(15-13-30)24-16-22(26(33)28-20-10-11-20)21-8-4-5-9-23(21)29-24/h1-9,16,20H,10-15,17-18H2,(H,27,32)(H,28,33)/p+1