1-[(2S)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-[(2S)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-[(2S)-2-methylbutyl]-4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(2S)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(2S)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-[(2S)-2-methylbutyl]-4-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH+]1CCC(CC1)C2=C(C=NN2)C3=CC=CC=C3C

Isomeric SMILES

CC[C@H](C)C[NH+]1CCC(CC1)C2=C(C=NN2)C3=CC=CC=C3C

InChI

InChI=1S/C20H29N3/c1-4-15(2)14-23-11-9-17(10-12-23)20-19(13-21-22-20)18-8-6-5-7-16(18)3/h5-8,13,15,17H,4,9-12,14H2,1-3H3,(H,21,22)/p+1/t15-/m0/s1