6-[3-(aminomethyl)pentan-3-yl]-4-azanyl-6-chloranyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-[3-(aminomethyl)pentan-3-yl]-4-azanyl-6-chloranyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 4-amino-6-[1-(aminomethyl)-1-ethyl-propyl]-6-chloro-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-amino-6-[3-(aminomethyl)pentan-3-yl]-6-chloro-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 4-amino-6-[3-(aminomethyl)pentan-3-yl]-6-chlorocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-amino-6-[1-(aminomethyl)-1-ethyl-propyl]-6-chloro-cyclohexa-2,4-diene-1-carboxylate Formula: C13H20ClN2O2- MolecularWeight: 271.7631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CN)C1(C=C(C=CC1C(=O)[O-])N)Cl

Isomeric SMILES

CCC(CC)(CN)C1(C=C(C=CC1C(=O)[O-])N)Cl

InChI

InChI=1S/C13H21ClN2O2/c1-3-12(4-2,8-15)13(14)7-9(16)5-6-10(13)11(17)18/h5-7,10H,3-4,8,15-16H2,1-2H3,(H,17,18)/p-1