N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxyphenyl)methanimine

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxyphenyl)methanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxyphenyl)methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(3-methoxyphenyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-methoxyphenyl)methanimine Traditional Name: (Z)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-m-anisylidene-amine Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C\C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H27N3O/c1-17-7-8-20(18(2)13-17)16-23-9-11-24(12-10-23)22-15-19-5-4-6-21(14-19)25-3/h4-8,13-15H,9-12,16H2,1-3H3/p+1/b22-15-