(3R,4R)-N-[2-(3,4-dimethylphenoxy)ethyl]-1-methyl-4-oxidanyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R,4R)-N-[2-(3,4-dimethylphenoxy)ethyl]-1-methyl-4-oxidanyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R,4R)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-hydroxy-1-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3R,4R)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-hydroxy-1-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R,4R)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-hydroxy-1-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3R,4R)-N-[2-(3,4-dimethylphenoxy)ethyl]-4-hydroxy-1-methyl-piperidin-1-ium-3-carboxamide Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNC(=O)C2C[NH+](CCC2O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC(=O)[C@@H]2C[NH+](CC[C@H]2O)C)C

InChI

InChI=1S/C17H26N2O3/c1-12-4-5-14(10-13(12)2)22-9-7-18-17(21)15-11-19(3)8-6-16(15)20/h4-5,10,15-16,20H,6-9,11H2,1-3H3,(H,18,21)/p+1/t15-,16-/m1/s1