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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](CC[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O2/c1-20(21-8-4-3-5-9-21)13-17-30-18-14-22(15-19-30)31-25(12-16-27-31)29-26(32)28-23-10-6-7-11-24(23)33-2/h3-12,16,20,22H,13-15,17-19H2,1-2H3,(H2,28,29,32)/p+1/t20-/m0/s1