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

Systemtic Name: [6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxidanyl-7-oxidanylidene-heptyl]sulfanyl-methyl-di(propan-2-yl)azanium Openeye Name: [7-hydroxy-6-(6-methoxy-2-naphthyl)-6-methyl-7-oxo-heptyl]sulfanyl-diisopropyl-methyl-ammonium CAS Name: [[7-hydroxy-6-(6-methoxy-2-naphthalenyl)-6-methyl-7-oxoheptyl]thio]-methyl-di(propan-2-yl)ammonium IUPAC Name: [7-hydroxy-6-(6-methoxynaphthalen-2-yl)-6-methyl-7-oxoheptyl]sulfanyl-methyl-di(propan-2-yl)azanium Traditional Name: [[7-hydroxy-7-keto-6-(6-methoxy-2-naphthyl)-6-methyl-heptyl]thio]-diisopropyl-methyl-ammonium Formula: C26H40NO3S+ MolecularWeight: 446.6657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C(C)C)SCCCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)[N+](C)(C(C)C)SCCCCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C26H39NO3S/c1-19(2)27(6,20(3)4)31-16-10-8-9-15-26(5,25(28)29)23-13-11-22-18-24(30-7)14-12-21(22)17-23/h11-14,17-20H,8-10,15-16H2,1-7H3/p+1