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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl]-methyl-azanium Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [2-(N-acetylanilino)-4-thiazolyl]methyl-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [2-(N-acetylanilino)thiazol-4-yl]methyl-methyl-piperonyl-ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-15(25)24(18-6-4-3-5-7-18)21-22-17(13-28-21)12-23(2)11-16-8-9-19-20(10-16)27-14-26-19/h3-10,13H,11-12,14H2,1-2H3/p+1