diethyl-[2-[(4-methoxyphenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-methoxyphenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium CAS Name: diethyl-[2-[[(4-methoxyphenyl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-p-anisoyl-amino]ethyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O2S/c1-5-24(6-2)13-14-25(21(26)17-8-10-18(27-4)11-9-17)22-23-19-12-7-16(3)15-20(19)28-22/h7-12,15H,5-6,13-14H2,1-4H3/p+1