[4-(6-methoxynaphthalen-2-yl)-4-methyl-5-oxidanyl-5-oxidanylidene-pentyl]sulfanyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: [4-(6-methoxynaphthalen-2-yl)-4-methyl-5-oxidanyl-5-oxidanylidene-pentyl]sulfanyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[5-hydroxy-4-(6-methoxy-2-naphthyl)-4-methyl-5-oxo-pentyl]sulfanyl-dimethyl-ammonium CAS Name: [[5-hydroxy-4-(6-methoxy-2-naphthalenyl)-4-methyl-5-oxopentyl]thio]-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[5-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-methyl-5-oxopentyl]sulfanyl-dimethylazanium Traditional Name: benzyl-[[5-hydroxy-5-keto-4-(6-methoxy-2-naphthyl)-4-methyl-pentyl]thio]-dimethyl-ammonium Formula: C26H32NO3S+ MolecularWeight: 438.60218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO3S/c1-26(25(28)29,23-13-11-22-18-24(30-4)14-12-21(22)17-23)15-8-16-31-27(2,3)19-20-9-6-5-7-10-20/h5-7,9-14,17-18H,8,15-16,19H2,1-4H3/p+1