[(2S)-5-methylhexan-2-yl]-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[4-(2-ketopyrrolidino)benzyl]ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-14(2)6-7-15(3)19-13-16-8-10-17(11-9-16)20-12-4-5-18(20)21/h8-11,14-15,19H,4-7,12-13H2,1-3H3/p+1/t15-/m0/s1