1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-ethyl-piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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