1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)urea

Systemtic Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)urea Openeye Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)urea CAS Name: 1-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)urea IUPAC Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea Traditional Name: 1-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)urea Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)NC3CCC[NH+](C3)C4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)N[C@H]3CCC[NH+](C3)C4CCCCCC4

InChI

InChI=1S/C24H35N5O/c1-18-23(19(2)29(27-18)22-14-8-5-9-15-22)26-24(30)25-20-11-10-16-28(17-20)21-12-6-3-4-7-13-21/h5,8-9,14-15,20-21H,3-4,6-7,10-13,16-17H2,1-2H3,(H2,25,26,30)/p+1/t20-/m0/s1