4-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C18H21ClN3O4+ MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCNC(=O)C4(C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCNC(=O)C4(C)C

InChI

InChI=1S/C18H20ClN3O4/c1-10-13(8-22-5-4-20-17(23)18(22,2)3)21-16(26-10)11-6-14-15(7-12(11)19)25-9-24-14/h6-7H,4-5,8-9H2,1-3H3,(H,20,23)/p+1