[1-ethylsulfonyl-1-(3-propylphenyl)-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-(3-propylphenyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(3-propylphenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-(3-propylphenyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-(3-propylphenyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(3-propylphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C17H25N2O2S+ MolecularWeight: 321.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)[N+]2(CC=CC(=C2)CN)S(=O)(=O)CC

Isomeric SMILES

CCCC1=CC(=CC=C1)[N+]2(CC=CC(=C2)CN)S(=O)(=O)CC

InChI

InChI=1S/C17H25N2O2S/c1-3-7-15-8-5-10-17(12-15)19(22(20,21)4-2)11-6-9-16(13-18)14-19/h5-6,8-10,12,14H,3-4,7,11,13,18H2,1-2H3/q+1