diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-m-toluoyl-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(C=CC=C2S1)OC)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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