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

Systemtic Name: [6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[7-hydroxy-6-(6-methoxy-2-naphthyl)-6-methyl-7-oxo-heptyl]sulfanyl-dimethyl-ammonium CAS Name: [[7-hydroxy-6-(6-methoxy-2-naphthalenyl)-6-methyl-7-oxoheptyl]thio]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[7-hydroxy-6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxoheptyl]sulfanyl-dimethylazanium Traditional Name: benzyl-[[7-hydroxy-7-keto-6-(6-methoxy-2-naphthyl)-6-methyl-heptyl]thio]-dimethyl-ammonium Formula: C28H36NO3S+ MolecularWeight: 466.65534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3S/c1-28(27(30)31,25-15-13-24-20-26(32-4)16-14-23(24)19-25)17-9-6-10-18-33-29(2,3)21-22-11-7-5-8-12-22/h5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1-4H3/p+1