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

Systemtic Name: (phenylmethyl) N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-2-25-13-15-26(16-14-25)22(27)21(17-19-9-5-3-6-10-19)24-23(28)29-18-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,24,28)/p+1/t21-/m0/s1