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

Systemtic Name: 3-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenyl-propyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-[(4S)-2,2-dimethyl-4-oxanyl]-3-phenylpropyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propyl]ammonio]propyl-dimethyl-ammonium Formula: C21H38N2O+2 MolecularWeight: 334.53922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O/c1-21(2)17-19(12-16-24-21)20(18-9-6-5-7-10-18)11-14-22-13-8-15-23(3)4/h5-7,9-10,19-20,22H,8,11-17H2,1-4H3/p+2/t19-,20+/m0/s1