[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-piperidin-1-ium-1-ylsulfonyl-azanide

Systemtic Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-piperidin-1-ium-1-ylsulfonyl-azanide Openeye Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-piperidin-1-ium-1-ylsulfonyl-azanide CAS Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-(1-piperidin-1-iumylsulfonyl)azanide IUPAC Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-piperidin-1-ium-1-ylsulfonylazanide Traditional Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-piperidin-1-ium-1-ylsulfonyl-azanide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC=C2)OC)[N-]S(=O)(=O)[NH+]3CCCCC3

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC=C2)OC)[N-]S(=O)(=O)[NH+]3CCCCC3

InChI

InChI=1S/C17H23N4O3S/c1-20-12-9-18-17(20)16(14-7-6-8-15(13-14)24-2)19-25(22,23)21-10-4-3-5-11-21/h6-9,12-13,16H,3-5,10-11H2,1-2H3/q-1/p+2/t16-/m0/s1