4-phenethyl-2-(pyridin-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 4-phenethyl-2-(pyridin-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-phenethyl-2-(2-pyridylmethyl)-8-(3-thienylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-(2-pyridinylmethyl)-8-(3-thiophenylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-(pyridin-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-phenethyl-2-(2-pyridylmethyl)-8-(3-thenyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=N4)CC5=CSC=C5

Isomeric SMILES

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=N4)CC5=CSC=C5

InChI

InChI=1S/C26H28N4O2S/c31-24-26(11-15-28(16-12-26)18-22-10-17-33-20-22)30(14-9-21-6-2-1-3-7-21)25(32)29(24)19-23-8-4-5-13-27-23/h1-8,10,13,17,20H,9,11-12,14-16,18-19H2/p+1