2-[4-[[4-ethyl-4-methyl-2,6-bis(oxidanylidene)piperidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[4-ethyl-4-methyl-2,6-bis(oxidanylidene)piperidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-ethyl-4-methyl-2,6-dioxo-1-piperidyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-ethyl-4-methyl-2,6-dioxo-1-piperidinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-ethyl-4-methyl-2,6-dioxopiperidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(4-ethyl-2,6-diketo-4-methyl-piperidino)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H26N4O4S/c1-3-20(2)12-18(25)24(19(26)13-20)15-22-8-10-23(11-9-22)29(27,28)17-7-5-4-6-16(17)14-21/h4-7H,3,8-13,15H2,1-2H3/p+1