[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O2/c1-24-17-3-2-14(12-16(17)19)13-21-8-10-22(11-9-21)18(23)15-4-6-20-7-5-15/h2-7,12H,8-11,13H2,1H3/p+1