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

Systemtic Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(2-methylpropyl)pyrazole-3-carboxamide Openeye Name: 5-isobutyl-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-(2-methylpropyl)-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(2-methylpropyl)pyrazole-3-carboxamide Traditional Name: 5-isobutyl-2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]pyrazole-3-carboxamide Formula: C20H37N5O+2 MolecularWeight: 363.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)C3CC[NH+](CC3)C)C

Isomeric SMILES

CC(C)CC1=NN(C(=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H35N5O/c1-15(2)12-17-13-19(24(4)22-17)20(26)21-16-6-5-9-25(14-16)18-7-10-23(3)11-8-18/h13,15-16,18H,5-12,14H2,1-4H3,(H,21,26)/p+2/t16-/m0/s1