ethyl 2-[(3S)-4-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylmorpholin-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-4-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylmorpholin-3-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzoyl]morpholin-3-yl]acetate CAS Name: 2-[(3S)-4-[[3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-3-morpholinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzoyl]morpholin-3-yl]acetate Traditional Name: 2-[(3S)-4-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzoyl]morpholin-3-yl]acetic acid ethyl ester Formula: C22H33N2O6+ MolecularWeight: 421.50722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1COCCN1C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C)OC

Isomeric SMILES

CCOC(=O)C[C@H]1COCCN1C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C)OC

InChI

InChI=1S/C22H32N2O6/c1-4-29-21(25)14-17-15-28-12-11-24(17)22(26)16-5-6-19(20(13-16)27-3)30-18-7-9-23(2)10-8-18/h5-6,13,17-18H,4,7-12,14-15H2,1-3H3/p+1/t17-/m0/s1