(phenylmethyl) N-[(2S)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[(6-morpholinopyridin-1-ium-3-yl)methylamino]ethyl]carbamic acid benzyl ester Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4/c32-26(29-19-23-11-12-25(28-18-23)31-13-15-34-16-14-31)24(17-21-7-3-1-4-8-21)30-27(33)35-20-22-9-5-2-6-10-22/h1-12,18,24H,13-17,19-20H2,(H,29,32)(H,30,33)/p+1/t24-/m0/s1