[2-[1,3-benzodioxol-5-ylmethyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [2-[1,3-benzodioxol-5-ylmethyl-[(1-methyl-2-benzimidazolyl)methyl]amino]-2-oxoethyl]-dimethylammonium IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-2-oxoethyl]-dimethylazanium Traditional Name: [2-keto-2-[(1-methylbenzimidazol-2-yl)methyl-piperonyl-amino]ethyl]-dimethyl-ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN(CC3=CC4=C(C=C3)OCO4)C(=O)C[NH+](C)C

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN(CC3=CC4=C(C=C3)OCO4)C(=O)C[NH+](C)C

InChI

InChI=1S/C21H24N4O3/c1-23(2)13-21(26)25(11-15-8-9-18-19(10-15)28-14-27-18)12-20-22-16-6-4-5-7-17(16)24(20)3/h4-10H,11-14H2,1-3H3/p+1