(3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C22H28N6O/c1-3-28-15-19(16(2)26-28)14-27-12-4-5-18(13-27)22(29)24-20-8-6-17(7-9-20)21-10-11-23-25-21/h6-11,15,18H,3-5,12-14H2,1-2H3,(H,23,25)(H,24,29)/p+1/t18-/m0/s1