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

Systemtic Name: 4-phenethyl-2-(phenylmethyl)-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-benzyl-4-phenethyl-8-(3-thienylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 4-phenethyl-2-(phenylmethyl)-8-(3-thiophenylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 2-benzyl-4-phenethyl-8-(thiophen-3-ylmethyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-benzyl-4-phenethyl-8-(3-thenyl)-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C27H30N3O2S+ MolecularWeight: 460.611

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CSC=C5

Isomeric SMILES

C1C[NH+](CCC12C(=O)N(C(=O)N2CCC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CSC=C5

InChI

InChI=1S/C27H29N3O2S/c31-25-27(13-16-28(17-14-27)19-24-12-18-33-21-24)30(15-11-22-7-3-1-4-8-22)26(32)29(25)20-23-9-5-2-6-10-23/h1-10,12,18,21H,11,13-17,19-20H2/p+1