(phenylmethyl) N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]carbamic acid benzyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-24-12-14-25(15-13-24)21(26)20(16-18-8-4-2-5-9-18)23-22(27)28-17-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3,(H,23,27)/p+1/t20-/m0/s1