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

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]-isopropyl-ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]-isopropyl-ammonium Formula: C26H38NO+ MolecularWeight: 380.58602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO/c1-22(2)27(20-24-13-9-6-10-14-24)17-15-26(16-18-28-25(3,4)21-26)19-23-11-7-5-8-12-23/h5-14,22H,15-21H2,1-4H3/p+1/t26-/m0/s1