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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-cyclohexyl-piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-cyclohexyl-piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-cyclohexylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-cyclohexylpiperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-cyclohexyl-piperazine-1,4-diium Formula: C18H29BrN2O+2 MolecularWeight: 369.33966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)C3CCCCC3)Br

InChI

InChI=1S/C18H27BrN2O/c1-22-18-8-7-15(13-17(18)19)14-20-9-11-21(12-10-20)16-5-3-2-4-6-16/h7-8,13,16H,2-6,9-12,14H2,1H3/p+2