N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c1-27(25(30)21-16-26-29(17-21)22-10-3-2-4-11-22)23-12-7-13-28(18-23)24-14-19-8-5-6-9-20(19)15-24/h2-6,8-11,16-17,23-24H,7,12-15,18H2,1H3/p+1/t23-/m0/s1