N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]oxane-4-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]oxane-4-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]tetrahydropyran-4-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-oxanecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]oxane-4-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]tetrahydropyran-4-carboxamide Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3CCOCC3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3CCOCC3

InChI

InChI=1S/C19H28N2O2/c22-19(17-9-13-23-14-10-17)20-18-7-4-11-21(15-18)12-8-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,20,22)/p+1/t18-/m0/s1