sodium 2-methoxy-4-[(E)-3-[(4-methylcyclohexyl)amino]-3-oxidanylidene-prop-1-enyl]phenolate

Systemtic Name: sodium 2-methoxy-4-[(E)-3-[(4-methylcyclohexyl)amino]-3-oxidanylidene-prop-1-enyl]phenolate Openeye Name: sodium 2-methoxy-4-[(E)-3-[(4-methylcyclohexyl)amino]-3-oxo-prop-1-enyl]phenolate CAS Name: sodium 2-methoxy-4-[(E)-3-[(4-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenolate IUPAC Name: sodium 2-methoxy-4-[(E)-3-[(4-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenolate Traditional Name: sodium 4-[(E)-3-keto-3-[(4-methylcyclohexyl)amino]prop-1-enyl]-2-methoxy-phenolate Formula: C17H22NNaO3 MolecularWeight: 311.35125

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C=CC2=CC(=C(C=C2)[O-])OC.[Na+]

Isomeric SMILES

CC1CCC(CC1)NC(=O)/C=C/C2=CC(=C(C=C2)[O-])OC.[Na+]

InChI

InChI=1S/C17H23NO3.Na/c1-12-3-7-14(8-4-12)18-17(20)10-6-13-5-9-15(19)16(11-13)21-2;/h5-6,9-12,14,19H,3-4,7-8H2,1-2H3,(H,18,20);/q;+1/p-1/b10-6+;