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

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(4-methyl-1-piperazin-4-iumyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[(4-methylpiperazin-4-ium-1-yl)amino]ethyl]carbamic acid benzyl ester Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-25-12-14-26(15-13-25)24-21(27)20(16-18-8-4-2-5-9-18)23-22(28)29-17-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3,(H,23,28)(H,24,27)/p+1/t20-/m0/s1