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

Systemtic Name: 1-[2-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-(4-ethylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C25H31N5O/c1-3-20-8-10-21(11-9-20)18-29-16-13-22(14-17-29)30-24(12-15-26-30)28-25(31)27-23-7-5-4-6-19(23)2/h4-12,15,22H,3,13-14,16-18H2,1-2H3,(H2,27,28,31)/p+1