[(2S)-heptan-2-yl]-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]azanium Traditional Name: [4-(2-ketopyrrolidino)benzyl]-[(1S)-1-methylhexyl]ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C18H28N2O/c1-3-4-5-7-15(2)19-14-16-9-11-17(12-10-16)20-13-6-8-18(20)21/h9-12,15,19H,3-8,13-14H2,1-2H3/p+1/t15-/m0/s1