1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(2-furylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(2-furanylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-furfuryl)piperazine-1,4-diium Formula: C17H23BrN2O2+2 MolecularWeight: 367.28072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CO3)Br

InChI

InChI=1S/C17H21BrN2O2/c1-21-17-5-4-14(11-16(17)18)12-19-6-8-20(9-7-19)13-15-3-2-10-22-15/h2-5,10-11H,6-9,12-13H2,1H3/p+2