N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine

Systemtic Name: N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine Openeye Name: N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine CAS Name: N,N-dimethyl-1-[(octylthio)methyl]-4-pyridin-1-iumamine IUPAC Name: N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine Traditional Name: dimethyl-[1-[(octylthio)methyl]pyridin-1-ium-4-yl]amine Formula: C16H29N2S+ MolecularWeight: 281.47986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC[N+]1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCCCCCSC[N+]1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C16H29N2S/c1-4-5-6-7-8-9-14-19-15-18-12-10-16(11-13-18)17(2)3/h10-13H,4-9,14-15H2,1-3H3/q+1