(5S,8S)-8-methyl-5-(2-methylpropyl)-9-phenethyl-3,9-diaza-6-azoniaspiro[5.5]undecan-10-one

Systemtic Name: (5S,8S)-8-methyl-5-(2-methylpropyl)-9-phenethyl-3,9-diaza-6-azoniaspiro[5.5]undecan-10-one Openeye Name: (5S,8S)-5-isobutyl-8-methyl-9-phenethyl-3,9-diaza-6-azoniaspiro[5.5]undecan-10-one CAS Name: (5S,8S)-8-methyl-5-(2-methylpropyl)-9-phenethyl-3,9-diaza-6-azoniaspiro[5.5]undecan-10-one IUPAC Name: (5S,8S)-8-methyl-5-(2-methylpropyl)-9-phenethyl-3,9-diaza-6-azoniaspiro[5.5]undecan-10-one Traditional Name: (5S,8S)-5-isobutyl-8-methyl-9-phenethyl-3,9-diaza-6-azoniaspiro[5.5]undecan-10-one Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+]2(CCNCC2CC(C)C)CC(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[N+]2(CCNC[C@@H]2CC(C)C)CC(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C21H34N3O/c1-17(2)13-20-14-22-10-12-24(20)15-18(3)23(21(25)16-24)11-9-19-7-5-4-6-8-19/h4-8,17-18,20,22H,9-16H2,1-3H3/q+1/t18-,20-,24?/m0/s1