1-methyl-N-(4-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: 1-methyl-N-(4-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: 1-methyl-N-(4-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: 1-methyl-N-(4-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: 1-methyl-N-(4-nitrophenyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: (1-methyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)-(4-nitrophenyl)amine Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCCCC1)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(CCCCC1)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O2/c1-15-10-4-2-3-5-13(15)14-11-6-8-12(9-7-11)16(17)18/h6-9H,2-5,10H2,1H3/p+1