1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-methyl-1,4-diazepan-1-ium Formula: C14H22BrN2O+ MolecularWeight: 314.24128

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CN1CCC[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+1