N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C20H26N4O/c1-14-10-19(22-23(14)2)20(25)21-17-8-5-9-24(13-17)18-11-15-6-3-4-7-16(15)12-18/h3-4,6-7,10,17-18H,5,8-9,11-13H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1