1-(2,3-dimethylphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-(2,3-dimethylphenyl)-4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazine Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-17-6-5-7-20(18(17)2)23-12-14-24(15-13-23)21-9-8-19(16-22-21)28(26,27)25-10-3-4-11-25/h5-9,16H,3-4,10-15H2,1-2H3/p+1