N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide Openeye Name: 5-isobutyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-isobutyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1H-pyrazole-3-carboxamide Formula: C19H35N5O+2 MolecularWeight: 349.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1)C(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CC1=CC(=NN1)C(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C19H33N5O/c1-14(2)11-16-12-18(22-21-16)19(25)20-15-5-4-8-24(13-15)17-6-9-23(3)10-7-17/h12,14-15,17H,4-11,13H2,1-3H3,(H,20,25)(H,21,22)/p+2/t15-/m0/s1