dimethyl-[(2S)-2-(pentan-3-ylazaniumyl)-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-(pentan-3-ylazaniumyl)-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-(1-ethylpropylammonio)-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-2-(pentan-3-ylammonio)-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-(pentan-3-ylazaniumyl)-2-phenylethyl]azanium Traditional Name: [(2S)-2-(1-ethylpropylammonio)-2-phenyl-ethyl]-dimethyl-ammonium Formula: C15H28N2+2 MolecularWeight: 236.39622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2/c1-5-14(6-2)16-15(12-17(3)4)13-10-8-7-9-11-13/h7-11,14-16H,5-6,12H2,1-4H3/p+2/t15-/m1/s1