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

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-(1-o-anisylpiperidin-1-ium-4-yl)pyrazol-3-yl]urea Formula: C24H30N5O3+ MolecularWeight: 436.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C24H29N5O3/c1-31-21-9-5-3-7-18(21)17-28-15-12-19(13-16-28)29-23(11-14-25-29)27-24(30)26-20-8-4-6-10-22(20)32-2/h3-11,14,19H,12-13,15-17H2,1-2H3,(H2,26,27,30)/p+1