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

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-methyl-piperidin-1-ium-3-carboxamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-20-18(24)14-5-4-10-23(13-14)15-8-11-22(12-9-15)19-21-16-6-2-3-7-17(16)25-19/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,24)/p+1/t14-/m0/s1