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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(4-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)Br)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

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