1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethoxy-2-methyl-benzyl)-methyl-amino]-2-keto-ethyl]-methyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN(C)C(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN(C)C(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-15-10-18(27-4)19(28-5)11-16(15)12-25(3)22(26)14-24(2)13-21-23-17-8-6-7-9-20(17)29-21/h6-11H,12-14H2,1-5H3/p+1