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

Systemtic Name: [(2S)-butan-2-yl]-[4-(4-methoxycarbonylphenoxy)butyl]azanium Openeye Name: 4-(4-methoxycarbonylphenoxy)butyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[4-(4-methoxycarbonylphenoxy)butyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[4-(4-methoxycarbonylphenoxy)butyl]azanium Traditional Name: 4-(4-carbomethoxyphenoxy)butyl-[(1S)-1-methylpropyl]ammonium Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCCOC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC[C@H](C)[NH2+]CCCCOC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H25NO3/c1-4-13(2)17-11-5-6-12-20-15-9-7-14(8-10-15)16(18)19-3/h7-10,13,17H,4-6,11-12H2,1-3H3/p+1/t13-/m0/s1