2-dimethylaminoethylcarbamoyl-methyl-[3-methyl-2-(pyridin-3-ylmethoxy)phenyl]sulfonyl-pyrazin-2-yl-azanium

Systemtic Name: 2-dimethylaminoethylcarbamoyl-methyl-[3-methyl-2-(pyridin-3-ylmethoxy)phenyl]sulfonyl-pyrazin-2-yl-azanium Openeye Name: 2-dimethylaminoethylcarbamoyl-methyl-[3-methyl-2-(3-pyridylmethoxy)phenyl]sulfonyl-pyrazin-2-yl-ammonium CAS Name: [(2-dimethylaminoethylamino)-oxomethyl]-methyl-[3-methyl-2-(3-pyridinylmethoxy)phenyl]sulfonyl-(2-pyrazinyl)ammonium IUPAC Name: 2-dimethylaminoethylcarbamoyl-methyl-[3-methyl-2-(pyridin-3-ylmethoxy)phenyl]sulfonyl-pyrazin-2-ylazanium Traditional Name: 2-dimethylaminoethylcarbamoyl-methyl-[3-methyl-2-(3-pyridylmethoxy)phenyl]sulfonyl-pyrazin-2-yl-ammonium Formula: C23H29N6O4S+ MolecularWeight: 485.57916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)[N+](C)(C2=NC=CN=C2)C(=O)NCCN(C)C)OCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)[N+](C)(C2=NC=CN=C2)C(=O)NCCN(C)C)OCC3=CN=CC=C3

InChI

InChI=1S/C23H28N6O4S/c1-18-7-5-9-20(22(18)33-17-19-8-6-10-24-15-19)34(31,32)29(4,21-16-25-11-12-26-21)23(30)27-13-14-28(2)3/h5-12,15-16H,13-14,17H2,1-4H3/p+1