1-cyclohexyl-3-[3-[4-[1-ethyl-3-(phenylmethyl)-1H-pyrazol-1-ium-5-yl]piperidin-1-ium-1-yl]-1-phenyl-propyl]urea

Systemtic Name: 1-cyclohexyl-3-[3-[4-[1-ethyl-3-(phenylmethyl)-1H-pyrazol-1-ium-5-yl]piperidin-1-ium-1-yl]-1-phenyl-propyl]urea Openeye Name: 1-[3-[4-(3-benzyl-1-ethyl-1H-pyrazol-1-ium-5-yl)piperidin-1-ium-1-yl]-1-phenyl-propyl]-3-cyclohexyl-urea CAS Name: 1-cyclohexyl-3-[3-[4-[1-ethyl-3-(phenylmethyl)-1H-pyrazol-1-ium-5-yl]-1-piperidin-1-iumyl]-1-phenylpropyl]urea IUPAC Name: 1-[3-[4-(3-benzyl-1-ethyl-1H-pyrazol-1-ium-5-yl)piperidin-1-ium-1-yl]-1-phenylpropyl]-3-cyclohexylurea Traditional Name: 1-[3-[4-(3-benzyl-1-ethyl-1H-pyrazol-1-ium-5-yl)piperidin-1-ium-1-yl]-1-phenyl-propyl]-3-cyclohexyl-urea Formula: C33H47N5O+2 MolecularWeight: 529.75918

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(=CC(=N1)CC2=CC=CC=C2)C3CC[NH+](CC3)CCC(C4=CC=CC=C4)NC(=O)NC5CCCCC5

Isomeric SMILES

CC[NH+]1C(=CC(=N1)CC2=CC=CC=C2)C3CC[NH+](CC3)CCC(C4=CC=CC=C4)NC(=O)NC5CCCCC5

InChI

InChI=1S/C33H45N5O/c1-2-38-32(25-30(36-38)24-26-12-6-3-7-13-26)28-18-21-37(22-19-28)23-20-31(27-14-8-4-9-15-27)35-33(39)34-29-16-10-5-11-17-29/h3-4,6-9,12-15,25,28-29,31H,2,5,10-11,16-24H2,1H3,(H2,34,35,39)/p+2