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

Systemtic Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propionamide Formula: C24H28N5O5+ MolecularWeight: 466.50962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O5/c1-16(24(30)26-17-4-7-22(33-2)23(14-17)34-3)27-10-12-28(13-11-27)20-5-6-21(29(31)32)19-15-25-9-8-18(19)20/h4-9,14-16H,10-13H2,1-3H3,(H,26,30)/p+1/t16-/m1/s1