1-[2-[[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(5-indan-5-yl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(5-indan-5-yl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)C[NH+]4CCC(CC4)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C3=NN(C(=C3)NC(=O)C[NH+]4CCC(CC4)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c27-26(33)19-11-13-30(14-12-19)17-25(32)28-24-16-23(29-31(24)22-7-2-1-3-8-22)21-10-9-18-5-4-6-20(18)15-21/h1-3,7-10,15-16,19H,4-6,11-14,17H2,(H2,27,33)(H,28,32)/p+1