(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-tert-butyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-tert-butyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-tert-butyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-tert-butyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-tert-butylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-tert-butyl-piperidin-1-ium-3-carboxamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H32N4O2/c1-22(2,3)24-20(27)16-7-6-12-26(15-16)17-10-13-25(14-11-17)21-23-18-8-4-5-9-19(18)28-21/h4-5,8-9,16-17H,6-7,10-15H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1