methyl 4-[[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]butanoate CAS Name: 4-[[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]butanoate Traditional Name: 4-[[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]butyric acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C23H29N3O4/c1-29-22(27)6-4-14-25-23(28)18-7-9-20(10-8-18)30-21-11-15-26(16-12-21)17-19-5-2-3-13-24-19/h2-3,5,7-10,13,21H,4,6,11-12,14-17H2,1H3,(H,25,28)/p+1