1-(5-bromanylthiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-thienyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-thiophenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromothiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(5-bromo-2-thienyl)methylene-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C17H21BrN3S+ MolecularWeight: 379.33774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C\C3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3S/c1-14-2-4-15(5-3-14)13-20-8-10-21(11-9-20)19-12-16-6-7-17(18)22-16/h2-7,12H,8-11,13H2,1H3/p+1/b19-12-