(2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-ium

Systemtic Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-ium Openeye Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-ium CAS Name: (2S,5S)-5-methyl-2-(1-methyl-2-pyrrolyl)azepan-1-ium IUPAC Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-ium Traditional Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)azepan-1-ium Formula: C12H21N2+ MolecularWeight: 193.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([NH2+]CC1)C2=CC=CN2C

Isomeric SMILES

C[C@H]1CC[C@H]([NH2+]CC1)C2=CC=CN2C

InChI

InChI=1S/C12H20N2/c1-10-5-6-11(13-8-7-10)12-4-3-9-14(12)2/h3-4,9-11,13H,5-8H2,1-2H3/p+1/t10-,11-/m0/s1