1-(2-methoxyphenyl)-3-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)C4CCSC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)[C@H]4CCSC4

InChI

InChI=1S/C20H27N5O2S/c1-27-18-5-3-2-4-17(18)22-20(26)23-19-6-10-21-25(19)15-7-11-24(12-8-15)16-9-13-28-14-16/h2-6,10,15-16H,7-9,11-14H2,1H3,(H2,22,23,26)/p+1/t16-/m0/s1