3-methylsulfanylpropyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 3-methylsulfanylpropyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-(3-methylsulfanylpropyl)ammonium CAS Name: 3-(methylthio)propyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-(3-methylsulfanylpropyl)azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[3-(methylthio)propyl]ammonium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CSCCC[NH2+]C1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2S/c1-19-13-5-10-17-16-8-11-18(12-9-16)14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3/p+2