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

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]-1-piperonyl-piperidin-1-ium Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O2/c1-16-4-2-5-18(10-16)20-12-24-25-23(20)19-6-3-9-26(14-19)13-17-7-8-21-22(11-17)28-15-27-21/h2,4-5,7-8,10-12,19H,3,6,9,13-15H2,1H3,(H,24,25)/p+1/t19-/m0/s1