[2-(2-hydroxyethylamino)-5-nitro-phenyl]-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [2-(2-hydroxyethylamino)-5-nitro-phenyl]-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-(2-hydroxyethylamino)-5-nitro-phenyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: [2-(2-hydroxyethylamino)-5-nitrophenyl]-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: [2-(2-hydroxyethylamino)-5-nitrophenyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-(2-hydroxyethylamino)-5-nitro-phenyl]-[2-keto-2-(4-phenylpiperazino)ethyl]ammonium Formula: C20H26N5O4+ MolecularWeight: 400.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C[NH2+]C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C[NH2+]C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C20H25N5O4/c26-13-8-21-18-7-6-17(25(28)29)14-19(18)22-15-20(27)24-11-9-23(10-12-24)16-4-2-1-3-5-16/h1-7,14,21-22,26H,8-13,15H2/p+1