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

Systemtic Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-o-anisyl-propionamide Formula: C24H28N5O4+ MolecularWeight: 450.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-17(24(30)26-15-18-5-3-4-6-23(18)33-2)27-11-13-28(14-12-27)21-7-8-22(29(31)32)20-16-25-10-9-19(20)21/h3-10,16-17H,11-15H2,1-2H3,(H,26,30)/p+1/t17-/m1/s1