2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(2-keto-1,3-benzoxazol-3-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CN2C3=CC=CC=C3OC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CN2C3=CC=CC=C3OC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3/c26-20(16-25-18-8-4-5-9-19(18)28-21(25)27)22-10-11-23-12-14-24(15-13-23)17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,26)/p+1