(3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-benzyl-1H-pyrazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C3=C(C=NN3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5/c1-24-13-17(11-22-24)14-25-9-5-8-18(15-25)20-19(12-21-23-20)10-16-6-3-2-4-7-16/h2-4,6-7,11-13,18H,5,8-10,14-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1