N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5O/c1-24-12-9-19(10-13-24)25-11-5-6-18(16-25)23-21(27)17-14-22-26(15-17)20-7-3-2-4-8-20/h2-4,7-8,14-15,18-19H,5-6,9-13,16H2,1H3,(H,23,27)/p+2/t18-/m0/s1