[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH+](C)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH+](C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-15(21-22-18-7-5-6-8-19(18)27-21)24(3)20(25)14-23(2)13-16-9-11-17(26-4)12-10-16/h5-12,15H,13-14H2,1-4H3/p+1/t15-/m1/s1