2-[N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidoyl]sulfanylethyl-trimethyl-azanium

Systemtic Name: 2-[N-[(4-fluorophenyl)methyl]-N-(phenylmethyl)-N'-prop-2-enyl-carbamimidoyl]sulfanylethyl-trimethyl-azanium Openeye Name: 2-[N'-allyl-N-benzyl-N-[(4-fluorophenyl)methyl]carbamimidoyl]sulfanylethyl-trimethyl-ammonium CAS Name: 2-[[[(4-fluorophenyl)methyl-(phenylmethyl)amino]-prop-2-enyliminomethyl]thio]ethyl-trimethylammonium IUPAC Name: 2-[N-benzyl-N-[(4-fluorophenyl)methyl]-N'-prop-2-enylcarbamimidoyl]sulfanylethyl-trimethylazanium Traditional Name: 2-[[N'-allyl-N-benzyl-N-(4-fluorobenzyl)amidino]thio]ethyl-trimethyl-ammonium Formula: C23H31FN3S+ MolecularWeight: 400.575743

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F

Isomeric SMILES

C[N+](C)(C)CCSC(=NCC=C)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C23H31FN3S/c1-5-15-25-23(28-17-16-27(2,3)4)26(18-20-9-7-6-8-10-20)19-21-11-13-22(24)14-12-21/h5-14H,1,15-19H2,2-4H3/q+1