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

Systemtic Name: 4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium Openeye Name: 4-[4-(m-tolyl)-1H-pyrazol-5-yl]-1-(2-thienylmethyl)piperidin-1-ium CAS Name: 4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium IUPAC Name: 4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidin-1-ium Traditional Name: 4-[4-(m-tolyl)-1H-pyrazol-5-yl]-1-(2-thenyl)piperidin-1-ium Formula: C20H24N3S+ MolecularWeight: 338.48966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3S/c1-15-4-2-5-17(12-15)19-13-21-22-20(19)16-7-9-23(10-8-16)14-18-6-3-11-24-18/h2-6,11-13,16H,7-10,14H2,1H3,(H,21,22)/p+1