N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-methylfuran-2-yl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-methylfuran-2-yl)methanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-methyl-2-furyl)methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(5-methyl-2-furanyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(5-methylfuran-2-yl)methanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-[(5-methyl-2-furyl)methylene]amine Formula: C17H21ClN3O+ MolecularWeight: 318.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(O1)/C=N\N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O/c1-14-2-7-17(22-14)12-19-21-10-8-20(9-11-21)13-15-3-5-16(18)6-4-15/h2-7,12H,8-11,13H2,1H3/p+1/b19-12-