1-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxamide Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)N)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O)C

InChI

InChI=1S/C17H26N2O3/c1-12-3-4-16(9-13(12)2)22-11-15(20)10-19-7-5-14(6-8-19)17(18)21/h3-4,9,14-15,20H,5-8,10-11H2,1-2H3,(H2,18,21)/p+1/t15-/m0/s1