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

Systemtic Name: [3-(6-methoxynaphthalen-2-yl)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[4-hydroxy-3-(6-methoxy-2-naphthyl)-3-methyl-4-oxo-butyl]sulfanyl-methyl-ammonium CAS Name: [[4-hydroxy-3-(6-methoxy-2-naphthalenyl)-3-methyl-4-oxobutyl]thio]-methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[4-hydroxy-3-(6-methoxynaphthalen-2-yl)-3-methyl-4-oxobutyl]sulfanyl-methylazanium Traditional Name: dibenzyl-[[4-hydroxy-4-keto-3-(6-methoxy-2-naphthyl)-3-methyl-butyl]thio]-methyl-ammonium Formula: C31H34NO3S+ MolecularWeight: 500.67156

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC(CCS[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C31H33NO3S/c1-31(30(33)34,28-16-14-27-21-29(35-3)17-15-26(27)20-28)18-19-36-32(2,22-24-10-6-4-7-11-24)23-25-12-8-5-9-13-25/h4-17,20-21H,18-19,22-23H2,1-3H3/p+1