methyl 2-[2-[4-[(2-methylphenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[(2-methylphenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[[(2-methylphenyl)-oxomethyl]amino]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(o-toluoylamino)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H27N3O4/c1-16-7-3-4-8-18(16)22(28)24-17-11-13-26(14-12-17)15-21(27)25-20-10-6-5-9-19(20)23(29)30-2/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,27)/p+1