N-[(5-bromanylthiophen-2-yl)methyl]-3-(4-methylpiperazin-1-ium-1-yl)propan-1-amine

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-3-(4-methylpiperazin-1-ium-1-yl)propan-1-amine Openeye Name: N-[(5-bromo-2-thienyl)methyl]-3-(4-methylpiperazin-1-ium-1-yl)propan-1-amine CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-3-(4-methyl-1-piperazin-1-iumyl)-1-propanamine IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-3-(4-methylpiperazin-1-ium-1-yl)propan-1-amine Traditional Name: (5-bromo-2-thienyl)methyl-[3-(4-methylpiperazin-1-ium-1-yl)propyl]amine Formula: C13H23BrN3S+ MolecularWeight: 333.31082

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCNCC2=CC=C(S2)Br

Isomeric SMILES

CN1CC[NH+](CC1)CCCNCC2=CC=C(S2)Br

InChI

InChI=1S/C13H22BrN3S/c1-16-7-9-17(10-8-16)6-2-5-15-11-12-3-4-13(14)18-12/h3-4,15H,2,5-11H2,1H3/p+1