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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-16(2)14-23-21(27)17-6-5-11-26(15-17)18-9-12-25(13-10-18)22-24-19-7-3-4-8-20(19)28-22/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1