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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-cyclopentyl-piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-cyclopentyl-piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-cyclopentylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-cyclopentylpiperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-cyclopentyl-piperazine-1,4-diium Formula: C17H27BrN2O+2 MolecularWeight: 355.31308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[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+2