(Z)-3-azanyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoyl]but-2-enenitrile

Systemtic Name: (Z)-3-azanyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoyl]but-2-enenitrile Openeye Name: (Z)-3-amino-2-[2-(4-methylpiperazin-1-ium-1-yl)acetyl]but-2-enenitrile CAS Name: (Z)-3-amino-2-[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]-2-butenenitrile IUPAC Name: (Z)-3-amino-2-[2-(4-methylpiperazin-1-ium-1-yl)acetyl]but-2-enenitrile Traditional Name: (Z)-3-amino-2-[2-(4-methylpiperazin-1-ium-1-yl)acetyl]but-2-enenitrile Formula: C11H19N4O+ MolecularWeight: 223.29476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C[NH+]1CCN(CC1)C)N

Isomeric SMILES

C/C(=C(\C#N)/C(=O)C[NH+]1CCN(CC1)C)/N

InChI

InChI=1S/C11H18N4O/c1-9(13)10(7-12)11(16)8-15-5-3-14(2)4-6-15/h3-6,8,13H2,1-2H3/p+1/b10-9-