(2R)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c1-16(22(28)24-17-5-3-2-4-6-17)25-11-13-26(14-12-25)20-7-8-21(27(29)30)19-15-23-10-9-18(19)20/h2-10,15-16H,11-14H2,1H3,(H,24,28)/p+1/t16-/m1/s1