2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]acetamide Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C22H23N5O3/c28-21(24-15-17-5-2-1-3-6-17)16-25-11-13-26(14-12-25)20-9-8-19(27(29)30)18-7-4-10-23-22(18)20/h1-10H,11-16H2,(H,24,28)/p+1