1-(5-chloranyl-2-methyl-phenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H25ClN4O2S/c1-16-4-5-17(21)14-19(16)23-10-12-24(13-11-23)20-7-6-18(15-22-20)28(26,27)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3/p+1