(2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: (2S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C)N3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](C)N3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H26N4O3/c1-3-24-12-14-25(15-13-24)18-10-8-17(9-11-18)23-21(27)16(2)26-19-6-4-5-7-20(19)29-22(26)28/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)/p+1/t16-/m0/s1