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

Systemtic Name: 4-phenethyl-2-propan-2-yl-8-(1,3-thiazol-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-isopropyl-4-phenethyl-8-(thiazol-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-propan-2-yl-8-(2-thiazolylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-propan-2-yl-8-(1,3-thiazol-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-isopropyl-4-phenethyl-8-(thiazol-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=NC=CS3)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=NC=CS3)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-17(2)26-20(27)22(9-13-24(14-10-22)16-19-23-11-15-29-19)25(21(26)28)12-8-18-6-4-3-5-7-18/h3-7,11,15,17H,8-10,12-14,16H2,1-2H3/p+1