3-ethyl-5-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-ethyl-5-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1,2-oxazole-4-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide CAS Name: 3-ethyl-5-methyl-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-isoxazolecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O2/c1-3-22-23(18(2)30-26-22)24(29)25-20-9-11-21(12-10-20)28-15-13-27(14-16-28)17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,25,29)/p+1