N'-ethyl-N-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)-N'-phenyl-propane-1,3-diamine

Systemtic Name: N'-ethyl-N-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)-N'-phenyl-propane-1,3-diamine Openeye Name: N'-ethyl-N-(5-morpholinosulfonylpyridin-1-ium-2-yl)-N'-phenyl-propane-1,3-diamine CAS Name: N'-ethyl-N-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-N'-phenylpropane-1,3-diamine IUPAC Name: N'-ethyl-N-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)-N'-phenylpropane-1,3-diamine Traditional Name: ethyl-[3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]-phenyl-amine Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3S/c1-2-23(18-7-4-3-5-8-18)12-6-11-21-20-10-9-19(17-22-20)28(25,26)24-13-15-27-16-14-24/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,21,22)/p+1