3-(4-methylpiperazin-4-ium-1-yl)propyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(thiophen-3-ylmethyl)azanium Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(3-thienylmethyl)ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-(3-thiophenylmethyl)ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(thiophen-3-ylmethyl)azanium Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(3-thenyl)ammonium Formula: C13H25N3S+2 MolecularWeight: 255.4227

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CSC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CC2=CSC=C2

InChI

InChI=1S/C13H23N3S/c1-15-6-8-16(9-7-15)5-2-4-14-11-13-3-10-17-12-13/h3,10,12,14H,2,4-9,11H2,1H3/p+2