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

Systemtic Name: (2R)-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-17(23(29)25(2)18-6-4-3-5-7-18)26-12-14-27(15-13-26)21-8-9-22(28(30)31)20-16-24-11-10-19(20)21/h3-11,16-17H,12-15H2,1-2H3/p+1/t17-/m1/s1