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

Systemtic Name: [(2S)-1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-[[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-[[[1-(1,3-benzoxazol-2-yl)isonipecotoyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C26H34N4O2/c1-3-29(4-2)22(18-20-10-6-5-7-11-20)19-27-25(31)21-14-16-30(17-15-21)26-28-23-12-8-9-13-24(23)32-26/h5-13,21-22H,3-4,14-19H2,1-2H3,(H,27,31)/p+1/t22-/m0/s1