2-[(3-fluorophenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-fluorophenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-fluorophenyl)carbamothioyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-fluoroanilino)-sulfanylidenemethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-fluorophenyl)carbamothioyl-(1-propan-2-ylpiperidin-1-ium-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-fluorophenyl)thiocarbamoyl-(1-isopropylpiperidin-1-ium-4-yl)amino]ethyl-dimethyl-ammonium Formula: C19H33FN4S+2 MolecularWeight: 368.555523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N(CC[NH+](C)C)C(=S)NC2=CC(=CC=C2)F

InChI

InChI=1S/C19H31FN4S/c1-15(2)23-10-8-18(9-11-23)24(13-12-22(3)4)19(25)21-17-7-5-6-16(20)14-17/h5-7,14-15,18H,8-13H2,1-4H3,(H,21,25)/p+2