1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-methyl-4-(4-nitrobenzyl)-1,4-diazepan-4-ium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2/c1-14-7-2-8-15(10-9-14)11-12-3-5-13(6-4-12)16(17)18/h3-6H,2,7-11H2,1H3/p+1