N-[2-[[(3S,4S)-4-ethoxy-1-[4-(1-oxidanidylpyridin-1-ium-3-yl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-(1-oxidanidylpyridin-1-ium-3-yl)-4-oxidanyl-cyclohexyl]pyrrolidin-3-yl]amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(1-oxido-3-pyridin-1-iumyl)cyclohexyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[[(3S,4S)-4-ethoxy-1-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C27H33F3N4O5 MolecularWeight: 550.56993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CC1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=C[N+](=CC=C4)[O-])O

Isomeric SMILES

CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=C[N+](=CC=C4)[O-])O

InChI

InChI=1S/C27H33F3N4O5/c1-2-39-23-17-33(21-8-10-26(37,11-9-21)20-7-4-12-34(38)15-20)16-22(23)32-24(35)14-31-25(36)18-5-3-6-19(13-18)27(28,29)30/h3-7,12-13,15,21-23,37H,2,8-11,14,16-17H2,1H3,(H,31,36)(H,32,35)/t21?,22-,23-,26?/m0/s1