2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1H-azepine

Systemtic Name: 2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1H-azepine Openeye Name: 2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1H-azepine CAS Name: 2-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-1H-azepine IUPAC Name: 2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1H-azepine Traditional Name: 2-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1H-azepine Formula: C12H19N2+ MolecularWeight: 191.29266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC=CC=CN2

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC=CC=CN2

InChI

InChI=1S/C12H19N2/c1-14(9-5-6-10-14)11-12-7-3-2-4-8-13-12/h2-4,7-8,13H,5-6,9-11H2,1H3/q+1