2-[5-(1,3-benzothiazol-2-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[5-(1,3-benzothiazol-2-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylmethyl)-3-ethoxycarbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethyl)-3-carbethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]ethyl-dimethyl-ammonium Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=NC4=CC=CC=C4S3)CC[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)CC3=NC4=CC=CC=C4S3)CC[NH+](C)C

InChI

InChI=1S/C21H27N5O2S/c1-4-28-21(27)20-15-13-25(10-9-17(15)26(23-20)12-11-24(2)3)14-19-22-16-7-5-6-8-18(16)29-19/h5-8H,4,9-14H2,1-3H3/p+1