[(2S)-6-methylheptan-2-yl]-[(1-methylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(1-methylpyrrol-2-yl)methyl]azanium Openeye Name: [(1S)-1,5-dimethylhexyl]-[(1-methylpyrrol-2-yl)methyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(1-methyl-2-pyrrolyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(1-methylpyrrol-2-yl)methyl]azanium Traditional Name: [(1S)-1,5-dimethylhexyl]-[(1-methylpyrrol-2-yl)methyl]ammonium Formula: C14H27N2+ MolecularWeight: 223.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N2/c1-12(2)7-5-8-13(3)15-11-14-9-6-10-16(14)4/h6,9-10,12-13,15H,5,7-8,11H2,1-4H3/p+1/t13-/m0/s1