2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C22H26ClN4O3+ MolecularWeight: 429.91984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4O3/c23-17-6-7-20-19(14-17)27(22(29)16-30-20)15-21(28)24-8-9-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-7,14H,8-13,15-16H2,(H,24,28)/p+1