2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-benzyl-N-tert-butyl-acetamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H31N3O2/c1-25(2,3)28(16-19-10-5-4-6-11-19)23(29)18-27-15-9-12-20(17-27)24-26-21-13-7-8-14-22(21)30-24/h4-8,10-11,13-14,20H,9,12,15-18H2,1-3H3/p+1/t20-/m0/s1