5-morpholin-4-ylsulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridin-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridin-2-amine Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-morpholinosulfonyl-pyridin-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyridinamine IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-morpholin-4-ylsulfonylpyridin-2-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(5-morpholinosulfonyl-2-pyridyl)amine Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O3S/c25-28(26,24-10-12-27-13-11-24)19-6-7-20(21-14-19)22-18-8-9-23(16-18)15-17-4-2-1-3-5-17/h1-7,14,18H,8-13,15-16H2,(H,21,22)/p+1/t18-/m0/s1