1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(2-nitrophenyl)urea

Systemtic Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(2-nitrophenyl)urea Openeye Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(2-nitrophenyl)urea CAS Name: 1-[(2R)-3-ethyl-2-(1-pyrrolidin-1-iumyl)pentyl]-3-(2-nitrophenyl)urea IUPAC Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-ylpentyl]-3-(2-nitrophenyl)urea Traditional Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(2-nitrophenyl)urea Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C18H28N4O3/c1-3-14(4-2)17(21-11-7-8-12-21)13-19-18(23)20-15-9-5-6-10-16(15)22(24)25/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3,(H2,19,20,23)/p+1/t17-/m0/s1