3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]propanoate

Systemtic Name: 3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]propanoate Openeye Name: 3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]propanoate CAS Name: 3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]propanoate IUPAC Name: 3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]propanoate Traditional Name: 3-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]propionate Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]CCC(=O)[O-])N1)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]CCC(=O)[O-])N1)C

InChI

InChI=1S/C14H18N2O2/c1-14(2)9-10-5-3-4-6-11(10)13(16-14)15-8-7-12(17)18/h3-6H,7-9H2,1-2H3,(H,15,16)(H,17,18)