dimethyl-[(3S)-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbonyl]pyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[(2-propan-2-yl-1,3-benzoxazol-5-yl)carbonyl]pyrrolidin-3-yl]azanium Openeye Name: [(3S)-1-(2-isopropyl-1,3-benzoxazole-5-carbonyl)pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: dimethyl-[(3S)-1-[oxo-(2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)pyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-(2-isopropyl-1,3-benzoxazole-5-carbonyl)pyrrolidin-3-yl]-dimethyl-ammonium Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)N3CCC(C3)[NH+](C)C

Isomeric SMILES

CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)N3CC[C@@H](C3)[NH+](C)C

InChI

InChI=1S/C17H23N3O2/c1-11(2)16-18-14-9-12(5-6-15(14)22-16)17(21)20-8-7-13(10-20)19(3)4/h5-6,9,11,13H,7-8,10H2,1-4H3/p+1/t13-/m0/s1