1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium

Systemtic Name: 1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium Openeye Name: 1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium CAS Name: 1-methyl-1-[[4-[(1-methyl-1-azepan-1-iumyl)methyl]phenyl]methyl]azepan-1-ium IUPAC Name: 1-methyl-1-[[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]methyl]azepan-1-ium Traditional Name: 1-methyl-1-[4-[(1-methylazepan-1-ium-1-yl)methyl]benzyl]azepan-1-ium Formula: C22H38N2+2 MolecularWeight: 330.55052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCCC3)C

Isomeric SMILES

C[N+]1(CCCCCC1)CC2=CC=C(C=C2)C[N+]3(CCCCCC3)C

InChI

InChI=1S/C22H38N2/c1-23(15-7-3-4-8-16-23)19-21-11-13-22(14-12-21)20-24(2)17-9-5-6-10-18-24/h11-14H,3-10,15-20H2,1-2H3/q+2