(2-chlorophenyl)-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-chlorophenyl)-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Openeye Name: (2-chlorophenyl)-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone CAS Name: (2-chlorophenyl)-[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (2-chlorophenyl)-[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]methanone Traditional Name: (2-chlorophenyl)-[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazino]methanone Formula: C20H24ClN4O3S+ MolecularWeight: 435.94756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H23ClN4O3S/c21-18-6-2-1-5-17(18)20(26)24-13-11-23(12-14-24)19-8-7-16(15-22-19)29(27,28)25-9-3-4-10-25/h1-2,5-8,15H,3-4,9-14H2/p+1