N-(5-bromanylpyridin-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-(4-m-anisylpiperazin-1-ium-1-yl)acetamide Formula: C19H24BrN4O2+ MolecularWeight: 420.32346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2)CC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](CC2)CC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN4O2/c1-26-17-4-2-3-15(11-17)13-23-7-9-24(10-8-23)14-19(25)22-18-6-5-16(20)12-21-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,22,25)/p+1