methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]azanium

Systemtic Name: methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]azanium Openeye Name: methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]ammonium CAS Name: methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]ammonium IUPAC Name: methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]azanium Traditional Name: methyl-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=CC=C1N2CCC[NH+](CC2)C

Isomeric SMILES

C[NH2+]CC1=CC=CC=C1N2CCC[NH+](CC2)C

InChI

InChI=1S/C14H23N3/c1-15-12-13-6-3-4-7-14(13)17-9-5-8-16(2)10-11-17/h3-4,6-7,15H,5,8-12H2,1-2H3/p+2