4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline

Systemtic Name: 4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline Openeye Name: 4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline CAS Name: 4-[2-(1-propyl-4-pyridin-1-iumyl)ethylsulfonyl]aniline IUPAC Name: 4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline Traditional Name: [4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]amine Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H21N2O2S/c1-2-10-18-11-7-14(8-12-18)9-13-21(19,20)16-5-3-15(17)4-6-16/h3-8,11-12H,2,9-10,13,17H2,1H3/q+1