(2,5-dimethyl-1-propyl-pyrrol-3-yl)methyl-[2-(thiophen-2-ylmethylsulfanyl)ethyl]azanium

Systemtic Name: (2,5-dimethyl-1-propyl-pyrrol-3-yl)methyl-[2-(thiophen-2-ylmethylsulfanyl)ethyl]azanium Openeye Name: (2,5-dimethyl-1-propyl-pyrrol-3-yl)methyl-[2-(2-thienylmethylsulfanyl)ethyl]ammonium CAS Name: (2,5-dimethyl-1-propyl-3-pyrrolyl)methyl-[2-(thiophen-2-ylmethylthio)ethyl]ammonium IUPAC Name: (2,5-dimethyl-1-propylpyrrol-3-yl)methyl-[2-(thiophen-2-ylmethylsulfanyl)ethyl]azanium Traditional Name: (2,5-dimethyl-1-propyl-pyrrol-3-yl)methyl-[2-(2-thenylthio)ethyl]ammonium Formula: C17H27N2S2+ MolecularWeight: 323.53968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C[NH2+]CCSCC2=CC=CS2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C[NH2+]CCSCC2=CC=CS2)C

InChI

InChI=1S/C17H26N2S2/c1-4-8-19-14(2)11-16(15(19)3)12-18-7-10-20-13-17-6-5-9-21-17/h5-6,9,11,18H,4,7-8,10,12-13H2,1-3H3/p+1