(phenylmethyl) N-[(2S)-1-[(1-methylquinolin-1-ium-6-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(1-methylquinolin-1-ium-6-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-[(1-methylquinolin-1-ium-6-yl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(1-methyl-6-quinolin-1-iumyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(1-methylquinolin-1-ium-6-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[(1-methylquinolin-1-ium-6-yl)amino]ethyl]carbamic acid benzyl ester Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-30-16-8-13-22-18-23(14-15-25(22)30)28-26(31)24(17-20-9-4-2-5-10-20)29-27(32)33-19-21-11-6-3-7-12-21/h2-16,18,24H,17,19H2,1H3,(H-,28,29,31,32)/p+1/t24-/m0/s1