(4-methoxycarbonylphenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1S)-1-methylbutyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H21NO2/c1-4-5-11(2)15-10-12-6-8-13(9-7-12)14(16)17-3/h6-9,11,15H,4-5,10H2,1-3H3/p+1/t11-/m0/s1