1-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-[1-[(1R)-1,4-dimethylpent-4-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(o-tolyl)urea CAS Name: 1-[2-[1-[(2R)-5-methylhex-5-en-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-[1-[(1R)-1,4-dimethylpent-4-enyl]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)C(C)CCC(=C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=NN2C3CC[NH+](CC3)[C@H](C)CCC(=C)C

InChI

InChI=1S/C23H33N5O/c1-17(2)9-10-19(4)27-15-12-20(13-16-27)28-22(11-14-24-28)26-23(29)25-21-8-6-5-7-18(21)3/h5-8,11,14,19-20H,1,9-10,12-13,15-16H2,2-4H3,(H2,25,26,29)/p+1/t19-/m1/s1