(2R)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-[(4-phenyltetrahydropyran-4-yl)methyl]-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-[(4-phenyl-4-oxanyl)methyl]-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-[(4-phenyltetrahydropyran-4-yl)methyl]-2-piperidin-1-ium-1-yl-propionamide Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1(CCOCC1)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NCC1(CCOCC1)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23)/p+1/t17-/m1/s1