[4-[diethoxyphosphoryl-[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[diethoxyphosphoryl-[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]-trimethyl-azanium Openeye Name: [4-[diethoxyphosphoryl-[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]-trimethyl-ammonium CAS Name: [4-[diethoxyphosphoryl-[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]-trimethylammonium IUPAC Name: [4-[diethoxyphosphoryl-[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]-trimethylazanium Traditional Name: [4-[diethoxyphosphoryl-[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]phenyl]-trimethyl-ammonium Formula: C22H31N3O3PS+ MolecularWeight: 448.538601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)[N+](C)(C)C)NC2=NC3=C(S2)C=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)[N+](C)(C)C)NC2=NC3=C(S2)C=C(C=C3)C)OCC

InChI

InChI=1S/C22H31N3O3PS/c1-7-27-29(26,28-8-2)21(17-10-12-18(13-11-17)25(4,5)6)24-22-23-19-14-9-16(3)15-20(19)30-22/h9-15,21H,7-8H2,1-6H3,(H,23,24)/q+1