1-(5-chloranyl-2-methoxy-phenyl)-3-[(3S)-1-cyclohexylpyrrolidin-1-ium-3-yl]urea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[(3S)-1-cyclohexylpyrrolidin-1-ium-3-yl]urea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[(3S)-1-cyclohexylpyrrolidin-1-ium-3-yl]urea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-cyclohexyl-3-pyrrolidin-1-iumyl]urea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-cyclohexylpyrrolidin-1-ium-3-yl]urea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[(3S)-1-cyclohexylpyrrolidin-1-ium-3-yl]urea Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NC2CC[NH+](C2)C3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N[C@H]2CC[NH+](C2)C3CCCCC3

InChI

InChI=1S/C18H26ClN3O2/c1-24-17-8-7-13(19)11-16(17)21-18(23)20-14-9-10-22(12-14)15-5-3-2-4-6-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H2,20,21,23)/p+1/t14-/m0/s1