3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]propanenitrile

Systemtic Name: 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]propanenitrile Openeye Name: 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]propanenitrile CAS Name: 3-[6-methyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]propanenitrile IUPAC Name: 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]propanenitrile Traditional Name: 3-[6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]propionitrile Formula: C18H24N4+2 MolecularWeight: 296.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CC[NH+](CC3)C)CCC#N

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CC[NH+](CC3)C)CCC#N

InChI

InChI=1S/C18H22N4/c1-14-5-6-17-16(12-14)13-15(4-3-7-19)18(20-17)22-10-8-21(2)9-11-22/h5-6,12-13H,3-4,8-11H2,1-2H3/p+2