4-phenethyl-2-propan-2-yl-8-[(3S)-thiolan-3-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-phenethyl-2-propan-2-yl-8-[(3S)-thiolan-3-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-isopropyl-4-phenethyl-8-[(3S)-tetrahydrothiophen-3-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-propan-2-yl-8-[(3S)-3-thiolanyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-propan-2-yl-8-[(3S)-thiolan-3-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-isopropyl-4-phenethyl-8-[(3S)-tetrahydrothiophen-3-yl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)C3CCSC3)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2(CC[NH+](CC2)[C@H]3CCSC3)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H31N3O2S/c1-17(2)25-20(26)22(10-13-23(14-11-22)19-9-15-28-16-19)24(21(25)27)12-8-18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3/p+1/t19-/m0/s1