[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-[(1S)-1-methylbutyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-[(1S)-1-methylbutyl]ammonium Formula: C15H24ClN2O3+ MolecularWeight: 315.81566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2O3/c1-4-5-10(2)18-8-11-6-12(16)15(13(7-11)20-3)21-9-14(17)19/h6-7,10,18H,4-5,8-9H2,1-3H3,(H2,17,19)/p+1/t10-/m0/s1