[4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-(4-m-anisylpiperazin-4-ium-1-yl)benzyl]ammonium Formula: C19H27N3O+2 MolecularWeight: 313.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

InChI

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