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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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