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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=NN2CC[NH+](CC2)CC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=C(C=C(C=C3)C)C

InChI

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