2-[6-methoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]ethanenitrile

Systemtic Name: 2-[6-methoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]ethanenitrile Openeye Name: 2-[6-methoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]acetonitrile CAS Name: 2-[6-methoxy-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]acetonitrile IUPAC Name: 2-[6-methoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]acetonitrile Traditional Name: 2-[6-methoxy-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]acetonitrile Formula: C17H22N4O+2 MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)OC)CC#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)OC)CC#N

InChI

InChI=1S/C17H20N4O/c1-20-7-9-21(10-8-20)17-13(5-6-18)11-14-12-15(22-2)3-4-16(14)19-17/h3-4,11-12H,5,7-10H2,1-2H3/p+2