2-butyl-N-[[(3S)-1,3-dimethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-butyl-N-[[(3S)-1,3-dimethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-butyl-N-[[(3S)-1,3-dimethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-butyl-N-[[(3S)-1,3-dimethyl-3-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-butyl-N-[[(3S)-1,3-dimethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-butyl-N-[[(3S)-1,3-dimethylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3(CC[NH+](C3)C)C

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NC[C@@]3(CC[NH+](C3)C)C

InChI

InChI=1S/C19H27N3O2/c1-4-5-6-17-21-15-11-14(7-8-16(15)24-17)18(23)20-12-19(2)9-10-22(3)13-19/h7-8,11H,4-6,9-10,12-13H2,1-3H3,(H,20,23)/p+1/t19-/m0/s1