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

Systemtic Name: 2-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-3-[(4S)-2,2-dimethyl-4-oxanyl]-3-phenylpropyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]ammonio]ethyl-dimethyl-ammonium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC[NH2+]CC[NH+](C)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1(C[C@H](CCO1)[C@H](CC[NH2+]CC[NH+](C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H34N2O/c1-20(2)16-18(11-15-23-20)19(17-8-6-5-7-9-17)10-12-21-13-14-22(3)4/h5-9,18-19,21H,10-16H2,1-4H3/p+2/t18-,19+/m0/s1