1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-cycloheptyl-piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-cycloheptylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-cycloheptylpiperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-cycloheptyl-piperazine-1,4-diium Formula: C19H31BrN2O+2 MolecularWeight: 383.36624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)C3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)C3CCCCCC3

InChI

InChI=1S/C19H29BrN2O/c1-23-19-9-8-17(20)14-16(19)15-21-10-12-22(13-11-21)18-6-4-2-3-5-7-18/h8-9,14,18H,2-7,10-13,15H2,1H3/p+2