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

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(2-furyl)methanimine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-1-(2-furanyl)methanimine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-1-(furan-2-yl)methanimine Traditional Name: (E)-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-(2-furfurylidene)amine Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=CC=CO3)C

InChI

InChI=1S/C18H23N3O/c1-15-5-6-17(16(2)12-15)14-20-7-9-21(10-8-20)19-13-18-4-3-11-22-18/h3-6,11-13H,7-10,14H2,1-2H3/p+1/b19-13+