4-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-(4-o-anisyl-1,4-diazepan-4-ium-1-yl)phenyl]amine Formula: C19H26N3O+ MolecularWeight: 312.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H25N3O/c1-23-19-6-3-2-5-16(19)15-21-11-4-12-22(14-13-21)18-9-7-17(20)8-10-18/h2-3,5-10H,4,11-15,20H2,1H3/p+1