(2-methoxy-2-oxidanylidene-ethyl)-[3-(3-methylphenyl)-4-oxidanyl-3-phenyl-butyl]-di(propan-2-yl)azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[3-(3-methylphenyl)-4-oxidanyl-3-phenyl-butyl]-di(propan-2-yl)azanium Openeye Name: [4-hydroxy-3-(m-tolyl)-3-phenyl-butyl]-diisopropyl-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: [4-hydroxy-3-(3-methylphenyl)-3-phenylbutyl]-(2-methoxy-2-oxoethyl)-di(propan-2-yl)ammonium IUPAC Name: [4-hydroxy-3-(3-methylphenyl)-3-phenylbutyl]-(2-methoxy-2-oxoethyl)-di(propan-2-yl)azanium Traditional Name: [4-hydroxy-3-(m-tolyl)-3-phenyl-butyl]-diisopropyl-(2-keto-2-methoxy-ethyl)ammonium Formula: C26H38NO3+ MolecularWeight: 412.58482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC[N+](CC(=O)OC)(C(C)C)C(C)C)(CO)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)C(CC[N+](CC(=O)OC)(C(C)C)C(C)C)(CO)C2=CC=CC=C2

InChI

InChI=1S/C26H38NO3/c1-20(2)27(21(3)4,18-25(29)30-6)16-15-26(19-28,23-12-8-7-9-13-23)24-14-10-11-22(5)17-24/h7-14,17,20-21,28H,15-16,18-19H2,1-6H3/q+1