(2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopentyl-propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopentyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopentyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-cyclopentylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopentylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopentyl-propionamide Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H27N3O2/c1-14(19(24)21-16-6-2-3-7-16)23-12-10-15(11-13-23)20-22-17-8-4-5-9-18(17)25-20/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,21,24)/p+1/t14-/m1/s1