[2-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[4-[2-(3-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[4-[2-(3-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C23H31FN4O3+2 MolecularWeight: 430.515643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C23H29FN4O3/c1-26(15-18-6-8-21(31-2)9-7-18)17-23(30)28-12-10-27(11-13-28)16-22(29)25-20-5-3-4-19(24)14-20/h3-9,14H,10-13,15-17H2,1-2H3,(H,25,29)/p+2