2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide Formula: C22H29FN3O3S+ MolecularWeight: 434.547363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(C)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-18(19-7-4-3-5-8-19)24(2)22(27)17-25-13-6-14-26(16-15-25)30(28,29)21-11-9-20(23)10-12-21/h3-5,7-12,18H,6,13-17H2,1-2H3/p+1/t18-/m0/s1