methyl 2-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-benzoyl]amino]acetate CAS Name: 2-[[[4-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-3-methoxyphenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxybenzoyl]amino]acetate Traditional Name: 2-[[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-benzoyl]amino]acetic acid methyl ester Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-26-19-13-15(21(25)22-14-20(24)27-2)7-8-18(19)28-17-9-11-23(12-10-17)16-5-3-4-6-16/h7-8,13,16-17H,3-6,9-12,14H2,1-2H3,(H,22,25)/p+1