[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: [2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: [2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: [2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: [2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C20H28FN3OS+2 MolecularWeight: 377.519223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH2+]CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)CC[NH2+]CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C20H26FN3OS/c21-18-7-5-17(6-8-18)15-24(16-19-4-3-13-26-19)20(25)14-22-9-12-23-10-1-2-11-23/h3-8,13,22H,1-2,9-12,14-16H2/p+2