1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H21BrN2O/c1-16-6-3-7-17(9-8-16)11-12-4-5-14(18-2)13(15)10-12/h4-5,10H,3,6-9,11H2,1-2H3/p+2