N-(2-chloranyl-5-nitro-phenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(2-chloro-5-nitro-phenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-(2-chloro-5-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(2-chloro-5-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (2-chloro-5-nitro-phenyl)-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C12H15ClN3O2+ MolecularWeight: 268.7194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(=[NH+]CC1)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O2/c13-10-6-5-9(16(17)18)8-11(10)15-12-4-2-1-3-7-14-12/h5-6,8H,1-4,7H2,(H,14,15)/p+1