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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 4-[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)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

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