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

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-ethanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenyl-ethanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-phenylethanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-phenylethanimine Traditional Name: (Z)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-(1-phenylethylidene)amine Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3/c1-17-9-10-21(18(2)15-17)16-23-11-13-24(14-12-23)22-19(3)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3/p+1/b22-19-