[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]-ethyl-ammonium CAS Name: [(3S)-3-[(4R)-2,2-dimethyl-4-oxanyl]-3-phenylpropyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-ethylazanium Traditional Name: benzyl-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]-ethyl-ammonium Formula: C25H36NO+ MolecularWeight: 366.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(C1CCOC(C1)(C)C)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO/c1-4-26(20-21-11-7-5-8-12-21)17-15-24(22-13-9-6-10-14-22)23-16-18-27-25(2,3)19-23/h5-14,23-24H,4,15-20H2,1-3H3/p+1/t23-,24-/m1/s1