[(2R)-2-(azepan-1-ium-1-yl)-2-(4-chloranyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-chloranyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-chloro-3-nitro-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(4-chloro-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-chloro-3-nitrophenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-chloro-3-nitro-phenyl)ethyl]ammonium Formula: C14H22ClN3O2+2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H20ClN3O2/c15-12-6-5-11(9-13(12)18(19)20)14(10-16)17-7-3-1-2-4-8-17/h5-6,9,14H,1-4,7-8,10,16H2/p+2/t14-/m0/s1