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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1-(2-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)C(=O)NC3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)C(=O)N[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4O2/c1-31-24-11-5-4-10-23(24)29-16-20(15-26-29)25(30)27-21-9-6-12-28(17-21)22-13-18-7-2-3-8-19(18)14-22/h2-5,7-8,10-11,15-16,21-22H,6,9,12-14,17H2,1H3,(H,27,30)/p+1/t21-/m0/s1