[(2S)-5-methylhexan-2-yl]-[(1-methylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(1-methylpyrrol-2-yl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1-methylpyrrol-2-yl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(1-methyl-2-pyrrolyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(1-methylpyrrol-2-yl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1-methylpyrrol-2-yl)methyl]ammonium Formula: C13H25N2+ MolecularWeight: 209.351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=CC=CN1C

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=CC=CN1C

InChI

InChI=1S/C13H24N2/c1-11(2)7-8-12(3)14-10-13-6-5-9-15(13)4/h5-6,9,11-12,14H,7-8,10H2,1-4H3/p+1/t12-/m0/s1