methyl 4-[[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]amino]butanoate CAS Name: 4-[[[4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]amino]butanoate Traditional Name: 4-[[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]amino]butyric acid methyl ester Formula: C21H33N2O5+ MolecularWeight: 393.49712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCCCC(=O)OC)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)C(=O)NCCCC(=O)OC)OC

InChI

InChI=1S/C21H32N2O5/c1-15(2)23-12-9-17(10-13-23)28-19-14-16(7-8-18(19)26-3)21(25)22-11-5-6-20(24)27-4/h7-8,14-15,17H,5-6,9-13H2,1-4H3,(H,22,25)/p+1