[4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(1H-indol-2-ylmethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(1H-indol-2-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(1H-indol-2-ylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)-3-pyrazolyl]methyl-(1H-indol-2-ylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(1H-indol-2-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(1H-indol-2-ylmethyl)ammonium Formula: C22H22FN4O2+ MolecularWeight: 393.434083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH2+]CC3=CC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH2+]CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C22H21FN4O2/c1-2-29-22(28)19-13-25-27(18-8-5-7-16(23)11-18)21(19)14-24-12-17-10-15-6-3-4-9-20(15)26-17/h3-11,13,24,26H,2,12,14H2,1H3/p+1