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

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine Openeye Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine CAS Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinamine IUPAC Name: N-[(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine Traditional Name: [(S)-(3-methoxyphenyl)-(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-(5-pyrrolidinosulfonyl-2-pyridyl)amine Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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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)N4CCCC4

Isomeric SMILES

C[N+]1=C(NC=C1)[C@H](C2=CC(=CC=C2)OC)NC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N5O3S/c1-25-13-10-22-21(25)20(16-6-5-7-17(14-16)29-2)24-19-9-8-18(15-23-19)30(27,28)26-11-3-4-12-26/h5-10,13-15,20H,3-4,11-12H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1