1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C22H34N5S+ MolecularWeight: 400.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NC(C)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)N[C@H](C)C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H33N5S/c1-16-10-6-7-11-20(16)15-27-19(4)21(18(3)25-27)24-22(28)23-17(2)14-26-12-8-5-9-13-26/h6-7,10-11,17H,5,8-9,12-15H2,1-4H3,(H2,23,24,28)/p+1/t17-/m1/s1