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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)C(=O)N)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)N)O

InChI

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