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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Formula: C18H25BrN3O+3 MolecularWeight: 379.3146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O/c1-23-18-3-2-16(12-17(18)19)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+3