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

Systemtic Name: 1-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-12-3-2-4-15(9-12)21-11-14(19)10-18-7-5-13(6-8-18)16(17)20/h2-4,9,13-14,19H,5-8,10-11H2,1H3,(H2,17,20)/p+1/t14-/m0/s1