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

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(8-nitro-5-isoquinolyl)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=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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