6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile CAS Name: 6,8-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Traditional Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Formula: C17H22N4+2 MolecularWeight: 282.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)N3CC[NH+](CC3)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=[NH+]2)N3CC[NH+](CC3)C)C#N)C

InChI

InChI=1S/C17H20N4/c1-12-8-13(2)16-14(9-12)10-15(11-18)17(19-16)21-6-4-20(3)5-7-21/h8-10H,4-7H2,1-3H3/p+2