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

Systemtic Name: 8-(1,3-benzothiazol-2-ylmethyl)-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 8-(1,3-benzothiazol-2-ylmethyl)-2-isopropyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-(1,3-benzothiazol-2-ylmethyl)-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-(1,3-benzothiazol-2-ylmethyl)-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 8-(1,3-benzothiazol-2-ylmethyl)-2-isopropyl-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)N1C(=O)C2(CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)N(C1=O)CCC5=CC=CC=C5

InChI

InChI=1S/C26H30N4O2S/c1-19(2)30-24(31)26(29(25(30)32)15-12-20-8-4-3-5-9-20)13-16-28(17-14-26)18-23-27-21-10-6-7-11-22(21)33-23/h3-11,19H,12-18H2,1-2H3/p+1