methyl 4-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-benzoyl]amino]butanoate CAS Name: 4-[[[4-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-3-methoxyphenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxybenzoyl]amino]butanoate Traditional Name: 4-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-benzoyl]amino]butyric acid methyl ester Formula: C23H35N2O5+ MolecularWeight: 419.5344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCCC(=O)OC)OC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCCC(=O)OC)OC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C23H34N2O5/c1-28-21-16-17(23(27)24-13-5-8-22(26)29-2)9-10-20(21)30-19-11-14-25(15-12-19)18-6-3-4-7-18/h9-10,16,18-19H,3-8,11-15H2,1-2H3,(H,24,27)/p+1