2-[4-(phenylmethyl)piperidin-1-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium Openeye Name: 2-(4-benzyl-1-piperidyl)-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium CAS Name: 2-[4-(phenylmethyl)-1-piperidinyl]-5-(1-pyrrolidinylsulfonyl)pyridin-1-ium IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridin-1-ium Traditional Name: 2-(4-benzylpiperidino)-5-pyrrolidinosulfonyl-pyridin-1-ium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O2S/c25-27(26,24-12-4-5-13-24)20-8-9-21(22-17-20)23-14-10-19(11-15-23)16-18-6-2-1-3-7-18/h1-3,6-9,17,19H,4-5,10-16H2/p+1