cyclooctyl-[(3R,5S)-5-(methylcarbamoyl)-1-(2-methylpropyl)pyrrolidin-3-yl]azanium

Systemtic Name: cyclooctyl-[(3R,5S)-5-(methylcarbamoyl)-1-(2-methylpropyl)pyrrolidin-3-yl]azanium Openeye Name: cyclooctyl-[(3R,5S)-1-isobutyl-5-(methylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: cyclooctyl-[(3R,5S)-5-(methylcarbamoyl)-1-(2-methylpropyl)-3-pyrrolidinyl]ammonium IUPAC Name: cyclooctyl-[(3R,5S)-5-(methylcarbamoyl)-1-(2-methylpropyl)pyrrolidin-3-yl]azanium Traditional Name: cyclooctyl-[(3R,5S)-1-isobutyl-5-(methylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C18H36N3O+ MolecularWeight: 310.49794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CC1C(=O)NC)[NH2+]C2CCCCCCC2

Isomeric SMILES

CC(C)CN1C[C@@H](C[C@H]1C(=O)NC)[NH2+]C2CCCCCCC2

InChI

InChI=1S/C18H35N3O/c1-14(2)12-21-13-16(11-17(21)18(22)19-3)20-15-9-7-5-4-6-8-10-15/h14-17,20H,4-13H2,1-3H3,(H,19,22)/p+1/t16-,17+/m1/s1