4,6-dimethyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzylsulfonylpiperazino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H22N4O2S/c1-15-12-16(2)21-19(18(15)13-20)22-8-10-23(11-9-22)26(24,25)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14H2,1-2H3/p+1