5,7-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 5,7-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile CAS Name: 5,7-dimethyl-2-(4-methylsulfonyl-1-piperazinyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 5,7-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-mesylpiperazino)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCN(CC3)S(=O)(=O)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCN(CC3)S(=O)(=O)C)C#N)C

InChI

InChI=1S/C17H20N4O2S/c1-12-8-13(2)15-10-14(11-18)17(19-16(15)9-12)20-4-6-21(7-5-20)24(3,22)23/h8-10H,4-7H2,1-3H3/p+1