(4-methoxy-2,5-dimethyl-phenyl)methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (4-methoxy-2,5-dimethyl-phenyl)methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: (4-methoxy-2,5-dimethyl-phenyl)methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium CAS Name: (4-methoxy-2,5-dimethylphenyl)methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]ammonium IUPAC Name: (4-methoxy-2,5-dimethylphenyl)methyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: (4-methoxy-2,5-dimethyl-benzyl)-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium Formula: C22H34N4O+2 MolecularWeight: 370.53156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH2+]CC2=C(N=CC=C2)N3CCC[NH+](CC3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH2+]CC2=C(N=CC=C2)N3CCC[NH+](CC3)C)C)OC

InChI

InChI=1S/C22H32N4O/c1-17-14-21(27-4)18(2)13-20(17)16-23-15-19-7-5-8-24-22(19)26-10-6-9-25(3)11-12-26/h5,7-8,13-14,23H,6,9-12,15-16H2,1-4H3/p+2