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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O/c1-21(2)17-20(11-15-24-21)19(10-12-22-13-14-23(3)4)16-18-8-6-5-7-9-18/h5-9,19-20,22H,10-17H2,1-4H3/p+2/t19-,20+/m1/s1