4-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]piperazin-2-one

Systemtic Name: 4-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]piperazin-2-one Openeye Name: 4-[5-[(4-benzyl-1-piperidyl)sulfonyl]pyridin-1-ium-2-yl]piperazin-2-one CAS Name: 4-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridin-1-iumyl]-2-piperazinone IUPAC Name: 4-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-1-ium-2-yl]piperazin-2-one Traditional Name: 4-[5-(4-benzylpiperidino)sulfonylpyridin-1-ium-2-yl]piperazin-2-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C[NH+]=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C[NH+]=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H26N4O3S/c26-21-16-24(13-10-22-21)20-7-6-19(15-23-20)29(27,28)25-11-8-18(9-12-25)14-17-4-2-1-3-5-17/h1-7,15,18H,8-14,16H2,(H,22,26)/p+1