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

Systemtic Name: N-[(2S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]benzamide Formula: C28H33N4O2+ MolecularWeight: 457.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2/c1-2-31-17-19-32(20-18-31)25-15-13-24(14-16-25)29-28(34)26(21-22-9-5-3-6-10-22)30-27(33)23-11-7-4-8-12-23/h3-16,26H,2,17-21H2,1H3,(H,29,34)(H,30,33)/p+1/t26-/m0/s1