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

Systemtic Name: 1-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C25H31N5O2/c1-3-32-23-11-7-5-9-20(23)18-29-16-13-21(14-17-29)30-24(12-15-26-30)28-25(31)27-22-10-6-4-8-19(22)2/h4-12,15,21H,3,13-14,16-18H2,1-2H3,(H2,27,28,31)/p+1