(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluoro-3-morpholinosulfonyl-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluoro-3-morpholinosulfonyl-phenyl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H29FN3O4S+ MolecularWeight: 498.589563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=C(C=C4)F)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H28FN3O4S/c27-24-9-8-21(18-25(24)35(32,33)30-14-16-34-17-15-30)26(31)29-12-10-28(11-13-29)19-22-6-3-5-20-4-1-2-7-23(20)22/h1-9,18H,10-17,19H2/p+1