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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C18H24BrN3O+2 MolecularWeight: 378.30666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3)Br

InChI

InChI=1S/C18H22BrN3O/c1-23-18-5-4-15(11-17(18)19)13-21-7-9-22(10-8-21)14-16-3-2-6-20-12-16/h2-6,11-12H,7-10,13-14H2,1H3/p+2