2-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-carbonitrile Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-carbonitrile CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-methoxy-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methoxyquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium-3-carbonitrile Formula: C17H22N4O+2 MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=[NH+]C3=C(C=C(C=C3)OC)C=C2C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=[NH+]C3=C(C=C(C=C3)OC)C=C2C#N

InChI

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