[4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(3-pyridylmethyl)ammonium Formula: C22H22N5O2S+ MolecularWeight: 420.50738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-2-29-21(28)18-13-25-27(20(18)14-24-12-16-7-6-10-23-11-16)22-26-19(15-30-22)17-8-4-3-5-9-17/h3-11,13,15,24H,2,12,14H2,1H3/p+1