N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H21N4O2S2+ MolecularWeight: 389.51494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H20N4O2S2/c1-21(13-18-20-15-6-2-3-7-16(15)25-18)17-9-8-14(12-19-17)26(23,24)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11,13H2,1H3/p+1