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

Systemtic Name: 3-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]azaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]ammonio]propyl-diethyl-ammonium CAS Name: 3-[[(3S)-3-[(4S)-2,2-dimethyl-4-oxanyl]-3-phenylpropyl]ammonio]propyl-diethylammonium IUPAC Name: 3-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]azaniumyl]propyl-diethylazanium Traditional Name: 3-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]ammonio]propyl-diethyl-ammonium Formula: C23H42N2O+2 MolecularWeight: 362.59238

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CCC(C1CCOC(C1)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC[C@@H]([C@H]1CCOC(C1)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C23H40N2O/c1-5-25(6-2)17-10-15-24-16-13-22(20-11-8-7-9-12-20)21-14-18-26-23(3,4)19-21/h7-9,11-12,21-22,24H,5-6,10,13-19H2,1-4H3/p+2/t21-,22+/m0/s1