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

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-[2-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-[2-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O2/c1-19(2)21-10-8-20(9-11-21)18-30-16-13-22(14-17-30)31-25(12-15-27-31)29-26(32)28-23-6-4-5-7-24(23)33-3/h4-12,15,19,22H,13-14,16-18H2,1-3H3,(H2,28,29,32)/p+1