methyl 4-[[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxyphenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butanoate CAS Name: 4-[[[3-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butanoate Traditional Name: 4-[[3-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butyric acid methyl ester Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C22H32N2O4/c1-27-21(25)10-5-13-23-22(26)17-6-4-9-20(16-17)28-19-11-14-24(15-12-19)18-7-2-3-8-18/h4,6,9,16,18-19H,2-3,5,7-8,10-15H2,1H3,(H,23,26)/p+1