[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-nitro-phenyl]methanol

Systemtic Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-nitro-phenyl]methanol Openeye Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-nitro-phenyl]methanol CAS Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-nitrophenyl]methanol IUPAC Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-nitrophenyl]methanol Traditional Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-5-nitro-phenyl]methanol Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C13H19N3O3/c1-14-5-2-6-15(8-7-14)13-4-3-12(16(18)19)9-11(13)10-17/h3-4,9,17H,2,5-8,10H2,1H3/p+1