2-[(2S,3R)-1-(phenylmethyl)-2-propyl-pyrrolidin-1-ium-3-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2S,3R)-1-(phenylmethyl)-2-propyl-pyrrolidin-1-ium-3-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(2S,3R)-1-benzyl-2-propyl-pyrrolidin-1-ium-3-yl]-N-isopropyl-acetamide CAS Name: 2-[(2S,3R)-1-(phenylmethyl)-2-propyl-3-pyrrolidin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[(2S,3R)-1-benzyl-2-propylpyrrolidin-1-ium-3-yl]-N-propan-2-ylacetamide Traditional Name: 2-[(2S,3R)-1-benzyl-2-propyl-pyrrolidin-1-ium-3-yl]-N-isopropyl-acetamide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CC[NH+]1CC2=CC=CC=C2)CC(=O)NC(C)C

Isomeric SMILES

CCC[C@H]1[C@H](CC[NH+]1CC2=CC=CC=C2)CC(=O)NC(C)C

InChI

InChI=1S/C19H30N2O/c1-4-8-18-17(13-19(22)20-15(2)3)11-12-21(18)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3,(H,20,22)/p+1/t17-,18+/m1/s1