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

Systemtic Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(S)-(2-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2OC)NC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=CC=C2OC)NC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N5O3S/c1-25-14-11-22-21(25)20(17-7-3-4-8-18(17)29-2)24-19-10-9-16(15-23-19)30(27,28)26-12-5-6-13-26/h3-4,7-11,14-15,20H,5-6,12-13H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1