1-methyl-N3,N5-bis(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-3,5-dicarboxamide

Systemtic Name: 1-methyl-N3,N5-bis(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-3,5-dicarboxamide Openeye Name: N3,N5-bis(1-isopropylpiperidin-1-ium-4-yl)-1-methyl-pyrazole-3,5-dicarboxamide CAS Name: 1-methyl-N3,N5-bis(1-propan-2-yl-4-piperidin-1-iumyl)pyrazole-3,5-dicarboxamide IUPAC Name: 1-methyl-3-N,5-N-bis(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-3,5-dicarboxamide Traditional Name: N,N'-bis(1-isopropylpiperidin-1-ium-4-yl)-1-methyl-pyrazole-3,5-dicarboxamide Formula: C22H40N6O2+2 MolecularWeight: 420.592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=NN2C)C(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=CC(=NN2C)C(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C22H38N6O2/c1-15(2)27-10-6-17(7-11-27)23-21(29)19-14-20(26(5)25-19)22(30)24-18-8-12-28(13-9-18)16(3)4/h14-18H,6-13H2,1-5H3,(H,23,29)(H,24,30)/p+2