2-[4-(4-chloranyl-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C17H24ClN4O3+ MolecularWeight: 367.85046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H23ClN4O3/c18-14-4-5-15(16(12-14)22(24)25)20-9-3-6-19(10-11-20)13-17(23)21-7-1-2-8-21/h4-5,12H,1-3,6-11,13H2/p+1