7,8-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 7,8-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 7,8-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile CAS Name: 7,8-dimethyl-2-(4-methylsulfonyl-1-piperazinyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 7,8-dimethyl-2-(4-methylsulfonylpiperazin-1-yl)quinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-mesylpiperazino)-7,8-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)S(=O)(=O)C)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)S(=O)(=O)C)C#N)C

InChI

InChI=1S/C17H20N4O2S/c1-12-4-5-14-10-15(11-18)17(19-16(14)13(12)2)20-6-8-21(9-7-20)24(3,22)23/h4-5,10H,6-9H2,1-3H3/p+1