[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[(2S)-1-tosylpyrrolidin-2-yl]methanone Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H28N4O3S/c1-18-4-6-20(7-5-18)30(28,29)26-12-2-3-21(26)22(27)25-15-13-24(14-16-25)17-19-8-10-23-11-9-19/h4-11,21H,2-3,12-17H2,1H3/p+1/t21-/m0/s1