(2R)-2-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C26H28ClN4O2+ MolecularWeight: 463.97912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H27ClN4O2/c1-17(25(32)28-20-10-11-20)30-12-14-31(15-13-30)26(33)22-16-24(18-6-8-19(27)9-7-18)29-23-5-3-2-4-21(22)23/h2-9,16-17,20H,10-15H2,1H3,(H,28,32)/p+1/t17-/m1/s1