2-[4-[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CN3C4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CN3C4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C21H23ClN4O3/c1-15-2-5-17(6-3-15)23-20(27)13-24-8-10-25(11-9-24)14-26-18-12-16(22)4-7-19(18)29-21(26)28/h2-7,12H,8-11,13-14H2,1H3,(H,23,27)/p+1