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

Systemtic Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea CAS Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[2-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]pyrazol-3-yl]urea Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-16(2)9-13-25-14-10-17(11-15-25)26-20(8-12-22-26)24-21(27)23-18-6-4-5-7-19(18)28-3/h4-9,12,17H,10-11,13-15H2,1-3H3,(H2,23,24,27)/p+1