1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]azanium Traditional Name: [3-methoxy-4-[(2-methylthiazol-4-yl)methoxy]benzyl]-piperonyl-ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=NC(=CS1)COC2=C(C=C(C=C2)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H22N2O4S/c1-14-23-17(12-28-14)11-25-18-5-3-15(7-20(18)24-2)9-22-10-16-4-6-19-21(8-16)27-13-26-19/h3-8,12,22H,9-11,13H2,1-2H3/p+1