1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[[(1S)-1-cyclohex-3-enyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium Formula: C19H29BrN2O+2 MolecularWeight: 381.35036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C19H27BrN2O/c1-23-19-8-7-18(20)13-17(19)15-22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-3,7-8,13,16H,4-6,9-12,14-15H2,1H3/p+2/t16-/m1/s1