(3S)-1-(cyclopropylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-(cyclopropylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-(cyclopropylmethyl)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-(cyclopropylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(cyclopropylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-(cyclopropylmethyl)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C19H26N3+ MolecularWeight: 296.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4CC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4CC4

InChI

InChI=1S/C19H25N3/c1-14-4-2-5-16(10-14)18-11-20-21-19(18)17-6-3-9-22(13-17)12-15-7-8-15/h2,4-5,10-11,15,17H,3,6-9,12-13H2,1H3,(H,20,21)/p+1/t17-/m0/s1