[2-[[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[1-(1,3-benzoxazol-2-yl)isonipecotoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H32N4O2/c1-3-28(4-2)18-21-10-6-5-9-20(21)17-26-24(30)19-13-15-29(16-14-19)25-27-22-11-7-8-12-23(22)31-25/h5-12,19H,3-4,13-18H2,1-2H3,(H,26,30)/p+1