N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-anthranil-5-carboxamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CNC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CNC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-24-9-11-25(12-10-24)19(26)14-22-21(27)16-7-8-18-17(13-16)20(28-23-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,27)/p+1