methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]ammonium CAS Name: methyl-[3-[[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]ammonium Formula: C20H30N4O3S+2 MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3S/c1-23(17-18-6-3-2-4-7-18)11-5-10-21-20-9-8-19(16-22-20)28(25,26)24-12-14-27-15-13-24/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,21,22)/p+2