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

Systemtic Name: sodium 2-[(E)-3-methanidylbut-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile Openeye Name: sodium 2-[(E)-3-methanidylbut-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile CAS Name: sodium 2-[(E)-3-methanidyl-1-oxobut-2-enyl]-1-methyl-1-isoquinolinecarbonitrile IUPAC Name: sodium 2-[(E)-3-methanidylbut-2-enoyl]-1-methylisoquinoline-1-carbonitrile Traditional Name: sodium 2-[(E)-3-methanidylbut-2-enoyl]-1-methyl-isoquinoline-1-carbonitrile Formula: C16H15N2NaO MolecularWeight: 274.29287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1C=CC2=CC=CC=C2C1(C)C#N)[CH2-].[Na+]

Isomeric SMILES

C/C(=C/C(=O)N1C=CC2=CC=CC=C2C1(C)C#N)/[CH2-].[Na+]

InChI

InChI=1S/C16H15N2O.Na/c1-12(2)10-15(19)18-9-8-13-6-4-5-7-14(13)16(18,3)11-17;/h4-10H,1H2,2-3H3;/q-1;+1/b12-10+;