methyl 3-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(2-fluorobenzyl)piperidin-1-ium-4-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O3/c1-15-7-8-17(22(27)28-2)13-20(15)24-21(26)16-9-11-25(12-10-16)14-18-5-3-4-6-19(18)23/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,26)/p+1