N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methyl-propanamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methyl-propanamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methyl-propanamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-methylpropanamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methylpropanamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-methyl-propionamide Formula: C17H27FN3O+ MolecularWeight: 308.414183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC(C1=CC=C(C=C1)F)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C(=O)NC[C@H](C1=CC=C(C=C1)F)N2CC[NH+](CC2)C

InChI

InChI=1S/C17H26FN3O/c1-13(2)17(22)19-12-16(14-4-6-15(18)7-5-14)21-10-8-20(3)9-11-21/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)/p+1/t16-/m1/s1