N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2-methyl-propanamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-2-methyl-propanamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2-methyl-propanamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-2-methylpropanamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2-methylpropanamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-2-methyl-propionamide Formula: C21H28FN4O+ MolecularWeight: 371.471623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C(=O)NCC(C1=CN=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN4O/c1-16(2)21(27)24-15-20(17-4-3-9-23-14-17)26-12-10-25(11-13-26)19-7-5-18(22)6-8-19/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,24,27)/p+1