sodium 1-ethyl-2-[(E)-3-methanidylbut-2-enoyl]isoquinoline-1-carbonitrile

Systemtic Name: sodium 1-ethyl-2-[(E)-3-methanidylbut-2-enoyl]isoquinoline-1-carbonitrile Openeye Name: sodium 1-ethyl-2-[(E)-3-methanidylbut-2-enoyl]isoquinoline-1-carbonitrile CAS Name: sodium 1-ethyl-2-[(E)-3-methanidyl-1-oxobut-2-enyl]-1-isoquinolinecarbonitrile IUPAC Name: sodium 1-ethyl-2-[(E)-3-methanidylbut-2-enoyl]isoquinoline-1-carbonitrile Traditional Name: sodium 1-ethyl-2-[(E)-3-methanidylbut-2-enoyl]isoquinoline-1-carbonitrile Formula: C17H17N2NaO MolecularWeight: 288.31945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C=CN1C(=O)C=C(C)[CH2-])C#N.[Na+]

Isomeric SMILES

CCC1(C2=CC=CC=C2C=CN1C(=O)/C=C(/C)\[CH2-])C#N.[Na+]

InChI

InChI=1S/C17H17N2O.Na/c1-4-17(12-18)15-8-6-5-7-14(15)9-10-19(17)16(20)11-13(2)3;/h5-11H,2,4H2,1,3H3;/q-1;+1/b13-11+;