N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)N2C=CN=C2)NC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H23N5O2S/c1-16(17-4-6-18(7-5-17)24-13-10-21-15-24)23-20-9-8-19(14-22-20)28(26,27)25-11-2-3-12-25/h4-10,13-16H,2-3,11-12H2,1H3,(H,22,23)/p+1/t16-/m1/s1