2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]azanium Openeye Name: 2-azaniumylethyl-[(4-ethylphenyl)methyl]-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]ammonium IUPAC Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]azanium Traditional Name: 2-ammonioethyl-(4-ethylbenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C15H28N2+2 MolecularWeight: 236.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CC[NH3+])C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CC[NH3+])[C@@H](C)CC

InChI

InChI=1S/C15H26N2/c1-4-13(3)17(11-10-16)12-15-8-6-14(5-2)7-9-15/h6-9,13H,4-5,10-12,16H2,1-3H3/p+2/t13-/m0/s1