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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-cyclopentyl-piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-cyclopentyl-piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-cyclopentylpiperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-cyclopentylpiperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-cyclopentyl-piperazin-4-ium Formula: C17H26BrN2O+ MolecularWeight: 354.30514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C3CCCC3)Br

InChI

InChI=1S/C17H25BrN2O/c1-21-17-7-6-14(12-16(17)18)13-19-8-10-20(11-9-19)15-4-2-3-5-15/h6-7,12,15H,2-5,8-11,13H2,1H3/p+1