methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]ammonium CAS Name: methyl-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]azanium Traditional Name: benzyl-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-methyl-ammonium Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N3O3S/c1-19(13-16-7-3-2-4-8-16)15-20-14-17(9-10-18(20)22)25(23,24)21-11-5-6-12-21/h2-4,7-10,14H,5-6,11-13,15H2,1H3/p+1