2-azaniumylethyl-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azanium

Systemtic Name: 2-azaniumylethyl-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azanium Openeye Name: 2-azaniumylethyl-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]ammonium CAS Name: 2-ammonioethyl-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]ammonium IUPAC Name: 2-azaniumylethyl-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azanium Traditional Name: 2-ammonioethyl-[4-[2-[(1S)-1-methylpropyl]phenoxy]butyl]ammonium Formula: C16H30N2O+2 MolecularWeight: 266.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCCCC[NH2+]CC[NH3+]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCCCC[NH2+]CC[NH3+]

InChI

InChI=1S/C16H28N2O/c1-3-14(2)15-8-4-5-9-16(15)19-13-7-6-11-18-12-10-17/h4-5,8-9,14,18H,3,6-7,10-13,17H2,1-2H3/p+2/t14-/m0/s1