N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-morpholin-4-ylsulfonyl-pyridin-2-amine

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-morpholin-4-ylsulfonyl-pyridin-2-amine Openeye Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-morpholinosulfonyl-pyridin-2-amine CAS Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-(4-morpholinylsulfonyl)-2-pyridinamine IUPAC Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine Traditional Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-(5-morpholinosulfonyl-2-pyridyl)amine Formula: C21H26N5O4S+ MolecularWeight: 444.52724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C(C2=CC(=CC=C2)OC)NC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC=C2)OC)NC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N5O4S/c1-25-9-8-22-21(25)20(16-4-3-5-17(14-16)29-2)24-19-7-6-18(15-23-19)31(27,28)26-10-12-30-13-11-26/h3-9,14-15,20H,10-13H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1