N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-(4-propan-2-ylphenyl)methanimine

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-(4-propan-2-ylphenyl)methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-isopropylphenyl)methanimine CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-(4-propan-2-ylphenyl)methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(4-propan-2-ylphenyl)methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-(4-isopropylbenzylidene)amine Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3/c1-18(2)21-10-8-19(9-11-21)16-22-24-14-12-23(13-15-24)17-20-6-4-3-5-7-20/h3-11,16,18H,12-15,17H2,1-2H3/p+1/b22-16+