[(1R)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]ethyl]-dimethyl-ammonium Formula: C21H32N4O3S+2 MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)[NH+](C)C

InChI

InChI=1S/C21H30N4O3S/c1-4-17-5-7-18(8-6-17)20(24(2)3)16-23-21-10-9-19(15-22-21)29(26,27)25-11-13-28-14-12-25/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,22,23)/p+2/t20-/m0/s1