1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C17H28N2S+2 MolecularWeight: 292.48262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC3

InChI

InChI=1S/C17H26N2S/c1-20-17-6-4-15(5-7-17)14-18-12-8-16(9-13-18)19-10-2-3-11-19/h4-7,16H,2-3,8-14H2,1H3/p+2