N-(3-fluorophenyl)-2-methyl-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-(3-fluorophenyl)-2-methyl-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-(3-fluorophenyl)-2-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: N-(3-fluorophenyl)-2-methyl-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-(3-fluorophenyl)-2-methyl-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-(3-fluorophenyl)-2-methyl-3-piperazin-4-ium-1-yl-benzamide Formula: C18H21FN3O+ MolecularWeight: 314.377243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN3O/c1-13-16(18(23)21-15-5-2-4-14(19)12-15)6-3-7-17(13)22-10-8-20-9-11-22/h2-7,12,20H,8-11H2,1H3,(H,21,23)/p+1