1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,4-diazepan-1-ium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-18-9-4-10-19(12-11-18)13-14-7-8-17(23-14)15-5-2-3-6-16(15)20(21)22/h2-3,5-8H,4,9-13H2,1H3/p+1