[3-(6-methoxynaphthalen-2-yl)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: [3-(6-methoxynaphthalen-2-yl)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-hydroxy-3-(6-methoxy-2-naphthyl)-3-methyl-4-oxo-butyl]sulfanyl-dimethyl-ammonium CAS Name: [[4-hydroxy-3-(6-methoxy-2-naphthalenyl)-3-methyl-4-oxobutyl]thio]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-hydroxy-3-(6-methoxynaphthalen-2-yl)-3-methyl-4-oxobutyl]sulfanyl-dimethylazanium Traditional Name: benzyl-[[4-hydroxy-4-keto-3-(6-methoxy-2-naphthyl)-3-methyl-butyl]thio]-dimethyl-ammonium Formula: C25H30NO3S+ MolecularWeight: 424.5756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3S/c1-25(24(27)28,14-15-30-26(2,3)18-19-8-6-5-7-9-19)22-12-10-21-17-23(29-4)13-11-20(21)16-22/h5-13,16-17H,14-15,18H2,1-4H3/p+1