4-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 4-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-5-chloranyl-2-methoxy-benzoate Openeye Name: 4-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-5-chloro-2-methoxy-benzoate CAS Name: 4-[[[1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-5-chloro-2-methoxybenzoate IUPAC Name: 4-[[1-[(4-bromophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-5-chloro-2-methoxybenzoate Traditional Name: 4-[[1-(4-bromobenzyl)piperidin-1-ium-4-carbonyl]amino]-5-chloro-2-methoxy-benzoate Formula: C21H22BrClN2O4 MolecularWeight: 481.76738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[O-])Cl)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[O-])Cl)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrClN2O4/c1-29-19-11-18(17(23)10-16(19)21(27)28)24-20(26)14-6-8-25(9-7-14)12-13-2-4-15(22)5-3-13/h2-5,10-11,14H,6-9,12H2,1H3,(H,24,26)(H,27,28)