N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2)C(=O)NC3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CCC2=C(C1)C(=NN2)C(=O)N[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C22H28N4O/c27-22(21-19-9-3-4-10-20(19)24-25-21)23-17-8-5-11-26(14-17)18-12-15-6-1-2-7-16(15)13-18/h1-2,6-7,17-18H,3-5,8-14H2,(H,23,27)(H,24,25)/p+1/t17-/m0/s1