cyclohexyl-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-prop-2-ynyl-azanium Openeye Name: cyclohexyl-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-prop-2-ynyl-ammonium CAS Name: cyclohexyl-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-prop-2-ynylammonium IUPAC Name: cyclohexyl-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-prop-2-ynylazanium Traditional Name: cyclohexyl-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-propargyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+](CC#C)C4CCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)C[NH+](CC#C)C4CCCCC4

InChI

InChI=1S/C22H26N2O4/c1-4-10-24(17-8-6-5-7-9-17)13-18-15(2)28-22(23-18)16-11-19(25-3)21-20(12-16)26-14-27-21/h1,11-12,17H,5-10,13-14H2,2-3H3/p+1