N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H22N4O2S2/c1-14(19-21-16-7-3-4-8-17(16)26-19)22(2)18-10-9-15(13-20-18)27(24,25)23-11-5-6-12-23/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3/p+1/t14-/m1/s1