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

Systemtic Name: 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(3-keto-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CN2C(=O)COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c27-21(16-26-19-8-4-5-9-20(19)29-17-22(26)28)23-10-11-24-12-14-25(15-13-24)18-6-2-1-3-7-18/h1-9H,10-17H2,(H,23,27)/p+1