(2-butyl-1,3-benzoxazol-5-yl)-[(5S)-3-ethyl-8-aza-3-azoniaspiro[4.4]nonan-8-yl]methanone

Systemtic Name: (2-butyl-1,3-benzoxazol-5-yl)-[(5S)-3-ethyl-8-aza-3-azoniaspiro[4.4]nonan-8-yl]methanone Openeye Name: (2-butyl-1,3-benzoxazol-5-yl)-[(5S)-3-ethyl-8-aza-3-azoniaspiro[4.4]nonan-8-yl]methanone CAS Name: (2-butyl-1,3-benzoxazol-5-yl)-[(5S)-3-ethyl-8-aza-3-azoniaspiro[4.4]nonan-8-yl]methanone IUPAC Name: (2-butyl-1,3-benzoxazol-5-yl)-[(5S)-3-ethyl-8-aza-3-azoniaspiro[4.4]nonan-8-yl]methanone Traditional Name: (2-butyl-1,3-benzoxazol-5-yl)-[(5S)-3-ethyl-8-aza-3-azoniaspiro[4.4]nonan-8-yl]methanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CCC4(C3)CC[NH+](C4)CC

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3CC[C@@]4(C3)CC[NH+](C4)CC

InChI

InChI=1S/C21H29N3O2/c1-3-5-6-19-22-17-13-16(7-8-18(17)26-19)20(25)24-12-10-21(15-24)9-11-23(4-2)14-21/h7-8,13H,3-6,9-12,14-15H2,1-2H3/p+1/t21-/m0/s1