N-[(2-fluorophenyl)methyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-[(2-fluorophenyl)methyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-[(2-fluorophenyl)methyl]-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-[(2-fluorophenyl)methyl]-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(2-fluorobenzyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C14H21FN3O3S+ MolecularWeight: 330.398243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2F

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2F

InChI

InChI=1S/C14H20FN3O3S/c15-13-4-2-1-3-12(13)11-17-14(19)5-10-22(20,21)18-8-6-16-7-9-18/h1-4,16H,5-11H2,(H,17,19)/p+1