(2R)-N-[2,3-bis(chloranyl)phenyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-[2,3-bis(chloranyl)phenyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2,3-dichlorophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2,3-dichlorophenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2,3-dichlorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2,3-dichlorophenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propionamide Formula: C22H22Cl2N5O3+ MolecularWeight: 475.34778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N5O3/c1-14(22(30)26-18-4-2-3-17(23)21(18)24)27-9-11-28(12-10-27)19-5-6-20(29(31)32)16-13-25-8-7-15(16)19/h2-8,13-14H,9-12H2,1H3,(H,26,30)/p+1/t14-/m1/s1