2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl-ethyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl-ethyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: 2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-ethyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethyl-ethyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl-ethyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: 2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-ethyl-p-anisyl-ammonium Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC1(CCOC(C1)(C)C)CC2=CC=CC=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC[C@]1(CCOC(C1)(C)C)CC2=CC=CC=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H37NO2/c1-5-27(20-23-11-13-24(28-4)14-12-23)17-15-26(16-18-29-25(2,3)21-26)19-22-9-7-6-8-10-22/h6-14H,5,15-21H2,1-4H3/p+1/t26-/m0/s1