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

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: 1-(p-tolylmethyl)-4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: 1-(4-methylbenzyl)-4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H24N3S+ MolecularWeight: 338.48966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=CC(=NN3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C3=CC(=NN3)C4=CC=CS4

InChI

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