2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3/c1-18(2)28(19-6-4-3-5-7-19)24(30)17-26-12-14-27(15-13-26)22-8-9-23(29(31)32)21-16-25-11-10-20(21)22/h3-11,16,18H,12-15,17H2,1-2H3/p+1