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

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)ethanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)ethanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(4-methoxyphenyl)ethanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)ethanimine Traditional Name: (Z)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-[1-(4-methoxyphenyl)ethylidene]amine Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-17-5-6-21(18(2)15-17)16-24-11-13-25(14-12-24)23-19(3)20-7-9-22(26-4)10-8-20/h5-10,15H,11-14,16H2,1-4H3/p+1/b23-19-