(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide IUPAC Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-fluorobenzyl)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)-N-methyl-propionamide Formula: C17H27FN3O3S+ MolecularWeight: 372.477983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H26FN3O3S/c1-14(20-8-5-9-21(11-10-20)25(3,23)24)17(22)19(2)13-15-6-4-7-16(18)12-15/h4,6-7,12,14H,5,8-11,13H2,1-3H3/p+1/t14-/m0/s1