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1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridin-1-ium-3-carboxamide

1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name:1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]pyridin-1-ium-3-carboxamide
Openeye Name:1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide
CAS Name:1-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-3-pyridin-1-iumcarboxamide
IUPAC Name:1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide
Traditional Name:1-[2-(4-besylpiperazino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide
Formula: C18H21N4O4S+
MolecularWeight: 389.44874
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[N+]2=CC=CC(=C2)C(=O)N)S(=O)(=O)C3=CC=CC=C3


Isomeric SMILES

C1CN(CCN1C(=O)C[N+]2=CC=CC(=C2)C(=O)N)S(=O)(=O)C3=CC=CC=C3


InChI

InChI=1S/C18H20N4O4S/c19-18(24)15-5-4-8-20(13-15)14-17(23)21-9-11-22(12-10-21)27(25,26)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H-,19,24)/p+1


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