ethyl (3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(6-methoxy-2H-1-benzopyran-3-yl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H32NO5+ MolecularWeight: 390.49318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC3=C(C=CC(=C3)OC)OC2)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC3=C(C=CC(=C3)OC)OC2)CCOC

InChI

InChI=1S/C22H31NO5/c1-4-27-21(24)22(9-11-25-2)8-5-10-23(16-22)14-17-12-18-13-19(26-3)6-7-20(18)28-15-17/h6-7,12-13H,4-5,8-11,14-16H2,1-3H3/p+1/t22-/m0/s1