1-[(5-methylfuran-2-yl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC=C(O4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC=C(O4)C

InChI

InChI=1S/C21H25N3O/c1-15-4-3-5-18(12-15)20-13-22-23-21(20)17-8-10-24(11-9-17)14-19-7-6-16(2)25-19/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,22,23)/p+1