(2S)-2-azanyl-3-methyl-1-[(2S)-2-(2-pyridin-1-ium-1-ylethanoyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: (2S)-2-azanyl-3-methyl-1-[(2S)-2-(2-pyridin-1-ium-1-ylethanoyl)pyrrolidin-1-yl]butan-1-one Openeye Name: (2S)-2-amino-3-methyl-1-[(2S)-2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidin-1-yl]butan-1-one CAS Name: (2S)-2-amino-3-methyl-1-[(2S)-2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-pyrrolidinyl]-1-butanone IUPAC Name: (2S)-2-amino-3-methyl-1-[(2S)-2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidin-1-yl]butan-1-one Traditional Name: (2S)-2-amino-3-methyl-1-[(2S)-2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidino]butan-1-one Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)C[N+]2=CC=CC=C2)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)C[N+]2=CC=CC=C2)N

InChI

InChI=1S/C16H24N3O2/c1-12(2)15(17)16(21)19-10-6-7-13(19)14(20)11-18-8-4-3-5-9-18/h3-5,8-9,12-13,15H,6-7,10-11,17H2,1-2H3/q+1/t13-,15-/m0/s1