4-[6-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C18H25ClN4O3S2+2 MolecularWeight: 444.9991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H23ClN4O3S2/c19-17-3-1-15(27-17)14-21-5-7-22(8-6-21)18-4-2-16(13-20-18)28(24,25)23-9-11-26-12-10-23/h1-4,13H,5-12,14H2/p+2