N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: methyl-[(5-methyl-2-furyl)methyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(O1)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H21N3O3S/c1-13-5-6-14(22-13)12-18(2)16-8-7-15(11-17-16)23(20,21)19-9-3-4-10-19/h5-8,11H,3-4,9-10,12H2,1-2H3/p+1