[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4/c22-12-11-18-7-9-20(10-8-18)17(23)14-3-4-15(16(13-14)21(24)25)19-5-1-2-6-19/h3-4,13,22H,1-2,5-12H2/p+1