N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]butan-1-amine bromide

Systemtic Name: N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]butan-1-amine bromide Openeye Name: N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]butan-1-amine bromide CAS Name: N-[(2,6-dimethyl-1-piperidin-1-iumylidene)-phenylmethyl]-1-butanamine bromide IUPAC Name: N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenylmethyl]butan-1-amine bromide Traditional Name: butyl-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]amine bromide Formula: C18H29BrN2 MolecularWeight: 353.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=[N+]1C(CCCC1C)C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCNC(=[N+]1C(CCCC1C)C)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C18H28N2.BrH/c1-4-5-14-19-18(17-12-7-6-8-13-17)20-15(2)10-9-11-16(20)3;/h6-8,12-13,15-16H,4-5,9-11,14H2,1-3H3;1H