(5S)-9-(3-phenylpropyl)-3-pyridin-1-ium-2-yl-3,9-diazaspiro[4.5]decan-10-one

Systemtic Name: (5S)-9-(3-phenylpropyl)-3-pyridin-1-ium-2-yl-3,9-diazaspiro[4.5]decan-10-one Openeye Name: (5S)-9-(3-phenylpropyl)-3-pyridin-1-ium-2-yl-3,9-diazaspiro[4.5]decan-10-one CAS Name: (5S)-9-(3-phenylpropyl)-3-(2-pyridin-1-iumyl)-3,9-diazaspiro[4.5]decan-10-one IUPAC Name: (5S)-9-(3-phenylpropyl)-3-pyridin-1-ium-2-yl-3,9-diazaspiro[4.5]decan-10-one Traditional Name: (5S)-9-(3-phenylpropyl)-3-pyridin-1-ium-2-yl-3,9-diazaspiro[4.5]decan-10-one Formula: C22H28N3O+ MolecularWeight: 350.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C3=CC=CC=[NH+]3)C(=O)N(C1)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@]2(CCN(C2)C3=CC=CC=[NH+]3)C(=O)N(C1)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O/c26-21-22(13-17-25(18-22)20-11-4-5-14-23-20)12-7-16-24(21)15-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,14H,6-7,10,12-13,15-18H2/p+1/t22-/m0/s1