6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C17H23ClN4O3S+2 MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H21ClN4O3S/c18-14-1-3-15(4-2-14)25-12-11-21-7-9-22(10-8-21)17-6-5-16(13-20-17)26(19,23)24/h1-6,13H,7-12H2,(H2,19,23,24)/p+2