[5-(6-methoxynaphthalen-2-yl)-5-methyl-6-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: [5-(6-methoxynaphthalen-2-yl)-5-methyl-6-oxidanyl-6-oxidanylidene-hexyl]sulfanyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[6-hydroxy-5-(6-methoxy-2-naphthyl)-5-methyl-6-oxo-hexyl]sulfanyl-dimethyl-ammonium CAS Name: [[6-hydroxy-5-(6-methoxy-2-naphthalenyl)-5-methyl-6-oxohexyl]thio]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[6-hydroxy-5-(6-methoxynaphthalen-2-yl)-5-methyl-6-oxohexyl]sulfanyl-dimethylazanium Traditional Name: benzyl-[[6-hydroxy-6-keto-5-(6-methoxy-2-naphthyl)-5-methyl-hexyl]thio]-dimethyl-ammonium Formula: C27H34NO3S+ MolecularWeight: 452.62876

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCS[N+](C)(C)CC1=CC=CC=C1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(CCCCS[N+](C)(C)CC1=CC=CC=C1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C27H33NO3S/c1-27(26(29)30,24-14-12-23-19-25(31-4)15-13-22(23)18-24)16-8-9-17-32-28(2,3)20-21-10-6-5-7-11-21/h5-7,10-15,18-19H,8-9,16-17,20H2,1-4H3/p+1