1-(2-methoxyphenyl)-3-[2-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-(p-tolylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-(4-methylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C24H29N5O2/c1-18-7-9-19(10-8-18)17-28-15-12-20(13-16-28)29-23(11-14-25-29)27-24(30)26-21-5-3-4-6-22(21)31-2/h3-11,14,20H,12-13,15-17H2,1-2H3,(H2,26,27,30)/p+1