1-[[(3R)-1-cyclopentylpyrrolidin-1-ium-3-yl]methyl]-3-(2,5-dimethoxyphenyl)urea

Systemtic Name: 1-[[(3R)-1-cyclopentylpyrrolidin-1-ium-3-yl]methyl]-3-(2,5-dimethoxyphenyl)urea Openeye Name: 1-[[(3R)-1-cyclopentylpyrrolidin-1-ium-3-yl]methyl]-3-(2,5-dimethoxyphenyl)urea CAS Name: 1-[[(3R)-1-cyclopentyl-3-pyrrolidin-1-iumyl]methyl]-3-(2,5-dimethoxyphenyl)urea IUPAC Name: 1-[[(3R)-1-cyclopentylpyrrolidin-1-ium-3-yl]methyl]-3-(2,5-dimethoxyphenyl)urea Traditional Name: 1-[[(3R)-1-cyclopentylpyrrolidin-1-ium-3-yl]methyl]-3-(2,5-dimethoxyphenyl)urea Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)NCC2CC[NH+](C2)C3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)NC[C@H]2CC[NH+](C2)C3CCCC3

InChI

InChI=1S/C19H29N3O3/c1-24-16-7-8-18(25-2)17(11-16)21-19(23)20-12-14-9-10-22(13-14)15-5-3-4-6-15/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H2,20,21,23)/p+1/t14-/m1/s1