methyl-(phenylmethyl)-[3-[[(1S)-1-thiophen-2-ylpropyl]azaniumyl]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[[(1S)-1-thiophen-2-ylpropyl]azaniumyl]propyl]azanium Openeye Name: benzyl-methyl-[3-[[(1S)-1-(2-thienyl)propyl]ammonio]propyl]ammonium CAS Name: methyl-(phenylmethyl)-[3-[[(1S)-1-thiophen-2-ylpropyl]ammonio]propyl]ammonium IUPAC Name: benzyl-methyl-[3-[[(1S)-1-thiophen-2-ylpropyl]azaniumyl]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(1S)-1-(2-thienyl)propyl]ammonio]propyl]ammonium Formula: C18H28N2S+2 MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)[NH2+]CCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C1=CC=CS1)[NH2+]CCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H26N2S/c1-3-17(18-11-7-14-21-18)19-12-8-13-20(2)15-16-9-5-4-6-10-16/h4-7,9-11,14,17,19H,3,8,12-13,15H2,1-2H3/p+2/t17-/m0/s1