sodium (2E)-2-[[[(E)-3-cyclohexylprop-2-enyl]amino]-methyl-azaniumylidene]propanoate

Systemtic Name: sodium (2E)-2-[[[(E)-3-cyclohexylprop-2-enyl]amino]-methyl-azaniumylidene]propanoate Openeye Name: sodium (2E)-2-[[[(E)-3-cyclohexylallyl]amino]-methyl-iminio]propanoate CAS Name: sodium (2E)-2-[[[(E)-3-cyclohexylprop-2-enyl]amino]-methyliminio]propanoate IUPAC Name: sodium (2E)-2-[[[(E)-3-cyclohexylprop-2-enyl]amino]-methylazaniumylidene]propanoate Traditional Name: sodium (2E)-2-[[[(E)-3-cyclohexylallyl]amino]-methyl-iminio]propionate Formula: C13H22N2NaO2+ MolecularWeight: 261.31575

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+](C)NCC=CC1CCCCC1)C(=O)[O-].[Na+]

Isomeric SMILES

C/C(=[N+](/C)\NC/C=C/C1CCCCC1)/C(=O)[O-].[Na+]

InChI

InChI=1S/C13H22N2O2.Na/c1-11(13(16)17)15(2)14-10-6-9-12-7-4-3-5-8-12;/h6,9,12,14H,3-5,7-8,10H2,1-2H3;/q;+1/b9-6+,15-11+;