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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-ethyl-N-methyl-5-(2-methylpropyl)pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-5-isobutyl-N-methyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-2-ethyl-N-methyl-5-(2-methylpropyl)-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-ethyl-N-methyl-5-(2-methylpropyl)pyrazole-3-carboxamide Traditional Name: 2-ethyl-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-5-isobutyl-N-methyl-pyrazole-3-carboxamide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)CC(C)C)C(=O)N(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CCN1C(=CC(=N1)CC(C)C)C(=O)N(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H36N4O/c1-5-29-24(16-21(26-29)13-18(2)3)25(30)27(4)22-11-8-12-28(17-22)23-14-19-9-6-7-10-20(19)15-23/h6-7,9-10,16,18,22-23H,5,8,11-15,17H2,1-4H3/p+1/t22-/m0/s1