[7-(6-methoxynaphthalen-2-yl)-7-methyl-8-oxidanyl-8-oxidanylidene-octyl]sulfanyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: [7-(6-methoxynaphthalen-2-yl)-7-methyl-8-oxidanyl-8-oxidanylidene-octyl]sulfanyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[8-hydroxy-7-(6-methoxy-2-naphthyl)-7-methyl-8-oxo-octyl]sulfanyl-dimethyl-ammonium CAS Name: [[8-hydroxy-7-(6-methoxy-2-naphthalenyl)-7-methyl-8-oxooctyl]thio]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[8-hydroxy-7-(6-methoxynaphthalen-2-yl)-7-methyl-8-oxooctyl]sulfanyl-dimethylazanium Traditional Name: benzyl-[[8-hydroxy-8-keto-7-(6-methoxy-2-naphthyl)-7-methyl-octyl]thio]-dimethyl-ammonium Formula: C29H38NO3S+ MolecularWeight: 480.68192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3S/c1-29(28(31)32,26-16-14-25-21-27(33-4)17-15-24(25)20-26)18-10-5-6-11-19-34-30(2,3)22-23-12-8-7-9-13-23/h7-9,12-17,20-21H,5-6,10-11,18-19,22H2,1-4H3/p+1