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

Systemtic Name: 3-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-phenyl-butyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-[(4S)-2,2-dimethyl-4-oxanyl]-4-phenylbutyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-phenylbutyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyl]ammonio]propyl-dimethyl-ammonium Formula: C22H40N2O+2 MolecularWeight: 348.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC[NH2+]CCC[NH+](C)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1(C[C@H](CCO1)[C@H](CC[NH2+]CCC[NH+](C)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C22H38N2O/c1-22(2)18-21(12-16-25-22)20(17-19-9-6-5-7-10-19)11-14-23-13-8-15-24(3)4/h5-7,9-10,20-21,23H,8,11-18H2,1-4H3/p+2/t20-,21+/m1/s1