2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-yl-pyrazol-4-yl)ethyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-[5-methyl-1-(1-naphthalenyl)-4-pyrazolyl]ethyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]azanium Traditional Name: [(1S)-1-[5-methyl-1-(1-naphthyl)pyrazol-4-yl]ethyl]-(piazthiol-5-ylmethyl)ammonium Formula: C23H22N5S+ MolecularWeight: 400.51928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)C(C)[NH2+]CC4=CC5=NSN=C5C=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC3=CC=CC=C32)[C@H](C)[NH2+]CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C23H21N5S/c1-15(24-13-17-10-11-21-22(12-17)27-29-26-21)20-14-25-28(16(20)2)23-9-5-7-18-6-3-4-8-19(18)23/h3-12,14-15,24H,13H2,1-2H3/p+1/t15-/m0/s1