[(2S)-2-(heptan-4-ylazaniumyl)-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-(heptan-4-ylazaniumyl)-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-(1-propylbutylammonio)ethyl]ammonium CAS Name: [(2S)-2-(heptan-4-ylammonio)-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-(heptan-4-ylazaniumyl)-2-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-(1-propylbutylammonio)ethyl]ammonium Formula: C17H32N2+2 MolecularWeight: 264.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(CCC)[NH2+][C@H](C[NH+](C)C)C1=CC=CC=C1

InChI

InChI=1S/C17H30N2/c1-5-10-16(11-6-2)18-17(14-19(3)4)15-12-8-7-9-13-15/h7-9,12-13,16-18H,5-6,10-11,14H2,1-4H3/p+2/t17-/m1/s1