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

Systemtic Name: N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=CN=C1[C@@H](C2=CC=CC=C2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H23N5O2S/c1-24-14-11-21-20(24)19(16-7-3-2-4-8-16)23-18-10-9-17(15-22-18)28(26,27)25-12-5-6-13-25/h2-4,7-11,14-15,19H,5-6,12-13H2,1H3,(H,22,23)/p+1/t19-/m1/s1