1-(5-bromanylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-thienyl)-N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-thiophenyl)-N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromothiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-(5-bromo-2-thienyl)methylene-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amine Formula: C20H21BrN3S+ MolecularWeight: 415.36984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=C(S4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C\C4=CC=C(S4)Br

InChI

InChI=1S/C20H20BrN3S/c21-20-9-8-18(25-20)14-22-24-12-10-23(11-13-24)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2/p+1/b22-14-