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

Systemtic Name: 1-[2-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-(cyclohexylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4CCCCC4

InChI

InChI=1S/C23H33N5O/c1-18-7-5-6-10-21(18)25-23(29)26-22-11-14-24-28(22)20-12-15-27(16-13-20)17-19-8-3-2-4-9-19/h5-7,10-11,14,19-20H,2-4,8-9,12-13,15-17H2,1H3,(H2,25,26,29)/p+1