N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-ethyl-butanamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-ethyl-butanamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-ethyl-butanamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-ethylbutanamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-ethylbutanamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-ethyl-butyramide Formula: C18H28ClN2O+ MolecularWeight: 323.88072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCC(C1=CC=CC=C1Cl)[NH+]2CCCC2

Isomeric SMILES

CCC(CC)C(=O)NC[C@@H](C1=CC=CC=C1Cl)[NH+]2CCCC2

InChI

InChI=1S/C18H27ClN2O/c1-3-14(4-2)18(22)20-13-17(21-11-7-8-12-21)15-9-5-6-10-16(15)19/h5-6,9-10,14,17H,3-4,7-8,11-13H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1