2-azaniumylethyl-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azanium

Systemtic Name: 2-azaniumylethyl-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azanium Openeye Name: 2-azaniumylethyl-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium CAS Name: 2-ammonioethyl-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]ammonium IUPAC Name: 2-azaniumylethyl-[3-[2-[(2S)-butan-2-yl]phenoxy]propyl]azanium Traditional Name: 2-ammonioethyl-[3-[2-[(1S)-1-methylpropyl]phenoxy]propyl]ammonium Formula: C15H28N2O+2 MolecularWeight: 252.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCC[NH2+]CC[NH3+]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCC[NH2+]CC[NH3+]

InChI

InChI=1S/C15H26N2O/c1-3-13(2)14-7-4-5-8-15(14)18-12-6-10-17-11-9-16/h4-5,7-8,13,17H,3,6,9-12,16H2,1-2H3/p+2/t13-/m0/s1