diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazol-3-yl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-methylpyrazole-3-carbonyl)amino]ethyl]ammonium Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=NN3C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=NN3C

InChI

InChI=1S/C19H25N5O2S/c1-5-23(6-2)11-12-24(18(25)16-9-10-20-22(16)3)19-21-15-8-7-14(26-4)13-17(15)27-19/h7-10,13H,5-6,11-12H2,1-4H3/p+1