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

Systemtic Name: 4-phenethyl-2-(pyridin-2-ylmethyl)-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 4-phenethyl-2-(2-pyridylmethyl)-8-(2-thienylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-(2-pyridinylmethyl)-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 4-phenethyl-2-(pyridin-2-ylmethyl)-8-(thiophen-2-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 4-phenethyl-2-(2-pyridylmethyl)-8-(2-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=CC=CS5

Isomeric SMILES

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=N4)CC5=CC=CS5

InChI

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