(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-chloro-3-morpholinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-chloro-3-(4-morpholinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-chloro-3-morpholinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H24ClN4O4S+ MolecularWeight: 451.94696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23ClN4O4S/c21-17-5-4-16(15-18(17)30(27,28)25-11-13-29-14-12-25)20(26)24-9-7-23(8-10-24)19-3-1-2-6-22-19/h1-6,15H,7-14H2/p+1