1-(4-tert-butylphenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(4-tert-butylphenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(4-tert-butylphenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(4-tert-butylphenyl)-N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(4-tert-butylphenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(4-tert-butylbenzylidene)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amine Formula: C22H29ClN3+ MolecularWeight: 370.93876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3/c1-22(2,3)20-8-4-18(5-9-20)16-24-26-14-12-25(13-15-26)17-19-6-10-21(23)11-7-19/h4-11,16H,12-15,17H2,1-3H3/p+1/b24-16-