4-bromanyl-3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C21H27BrN3O3+ MolecularWeight: 449.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O3/c1-27-18-14-16(15-19(28-2)20(18)22)21(26)23-8-9-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)/p+1