(5-bromanylpyridin-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H25BrN3O+ MolecularWeight: 403.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O/c1-15(2)17-5-3-16(4-6-17)14-23-7-9-24(10-8-23)20(25)18-11-19(21)13-22-12-18/h3-6,11-13,15H,7-10,14H2,1-2H3/p+1