(9S)-11-butyl-9-(2-methylpropyl)-3-(6-phenylhexyl)-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: (9S)-11-butyl-9-(2-methylpropyl)-3-(6-phenylhexyl)-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-isobutyl-3-(6-phenylhexyl)-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(2-methylpropyl)-3-(6-phenylhexyl)-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(2-methylpropyl)-3-(6-phenylhexyl)-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-isobutyl-3-(6-phenylhexyl)-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C28H46ClN3O2 MolecularWeight: 492.13674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CCCCCCC3=CC=CC=C3)CC(C)C.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CCCCCCC3=CC=CC=C3)CC(C)C.Cl

InChI

InChI=1S/C28H45N3O2.ClH/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24;/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33);1H/t25-;/m0./s1