1-ethyl-2-(2-phenylsulfanylethyl)spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclopentane]-4-one

Systemtic Name: 1-ethyl-2-(2-phenylsulfanylethyl)spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclopentane]-4-one Openeye Name: 1-ethyl-2-(2-phenylsulfanylethyl)spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclopentane]-4-one CAS Name: 1-ethyl-2-[2-(phenylthio)ethyl]-4-spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclopentane]one IUPAC Name: 1-ethyl-2-(2-phenylsulfanylethyl)spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclopentane]-4-one Traditional Name: 1-ethyl-2-[2-(phenylthio)ethyl]spiro[4a,6-dihydrobenzo[h]quinazolin-1-ium-5,1'-cyclopentane]-4-one Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(C(=O)N=C1CCSC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC[N+]1=C2C(C(=O)N=C1CCSC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H29N2OS/c1-2-28-22(14-17-30-20-11-4-3-5-12-20)27-25(29)23-24(28)21-13-7-6-10-19(21)18-26(23)15-8-9-16-26/h3-7,10-13,23H,2,8-9,14-18H2,1H3/q+1