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

Systemtic Name: 1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-one CAS Name: 1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidinosulfonyl-2-pyridone Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c26-22-9-8-21(29(27,28)25-12-4-5-13-25)17-24(22)18-23-14-10-20(11-15-23)16-19-6-2-1-3-7-19/h1-3,6-9,17,20H,4-5,10-16,18H2/p+1