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

Systemtic Name: (2R)-N-(4-methoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-methoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-methoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-methoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-methoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propionamide Formula: C23H26N5O4+ MolecularWeight: 436.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H25N5O4/c1-16(23(29)25-17-3-5-18(32-2)6-4-17)26-11-13-27(14-12-26)21-7-8-22(28(30)31)20-15-24-10-9-19(20)21/h3-10,15-16H,11-14H2,1-2H3,(H,25,29)/p+1/t16-/m1/s1