2-ethyl-4-phenethyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 2-ethyl-4-phenethyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-ethyl-4-phenethyl-8-[(4-phenylthiazol-2-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 2-ethyl-4-phenethyl-8-[(4-phenyl-2-thiazolyl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 2-ethyl-4-phenethyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-ethyl-4-phenethyl-8-[(4-phenylthiazol-2-yl)methyl]-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2(CC[NH+](CC2)CC3=NC(=CS3)C4=CC=CC=C4)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2(CC[NH+](CC2)CC3=NC(=CS3)C4=CC=CC=C4)N(C1=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H30N4O2S/c1-2-30-25(32)27(31(26(30)33)16-13-21-9-5-3-6-10-21)14-17-29(18-15-27)19-24-28-23(20-34-24)22-11-7-4-8-12-22/h3-12,20H,2,13-19H2,1H3/p+1