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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H25N3O/c1-23-19-9-3-16(4-10-19)15-21-11-2-12-22(14-13-21)18-7-5-17(20)6-8-18/h3-10H,2,11-15,20H2,1H3/p+1