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

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl-[(4-methoxyphenyl)methyl]-propan-2-yl-azanium Openeye Name: 2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-isopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethyl-[(4-methoxyphenyl)methyl]-propan-2-ylammonium IUPAC Name: 2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl-[(4-methoxyphenyl)methyl]-propan-2-ylazanium Traditional Name: 2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-isopropyl-p-anisyl-ammonium Formula: C27H40NO2+ MolecularWeight: 410.612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-22(2)28(20-24-11-13-25(29-5)14-12-24)17-15-27(16-18-30-26(3,4)21-27)19-23-9-7-6-8-10-23/h6-14,22H,15-21H2,1-5H3/p+1/t27-/m0/s1