6-ethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-ethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 6-ethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile CAS Name: 6-ethoxy-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-ethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Traditional Name: 6-ethoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Formula: C17H22N4O+2 MolecularWeight: 298.38278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H20N4O/c1-3-22-15-4-5-16-13(11-15)10-14(12-18)17(19-16)21-8-6-20(2)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3/p+2