2-[(2S)-1-[(2S)-butan-2-yl]-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2-[(2S)-1-[(2S)-butan-2-yl]-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: 2-[(2S)-1-[(1S)-1-methylpropyl]-5-oxo-pyrrolidin-2-yl]ethyl-(4-pyridylmethyl)ammonium CAS Name: 2-[(2S)-1-[(2S)-butan-2-yl]-5-oxo-2-pyrrolidinyl]ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-[(2S)-1-[(2S)-butan-2-yl]-5-oxopyrrolidin-2-yl]ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: 2-[(2S)-5-keto-1-[(1S)-1-methylpropyl]pyrrolidin-2-yl]ethyl-(4-pyridylmethyl)ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(CCC1=O)CC[NH2+]CC2=CC=NC=C2

Isomeric SMILES

CC[C@H](C)N1[C@@H](CCC1=O)CC[NH2+]CC2=CC=NC=C2

InChI

InChI=1S/C16H25N3O/c1-3-13(2)19-15(4-5-16(19)20)8-11-18-12-14-6-9-17-10-7-14/h6-7,9-10,13,15,18H,3-5,8,11-12H2,1-2H3/p+1/t13-,15-/m0/s1