5-morpholin-4-ylsulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-1-ium-2-amine

Systemtic Name: 5-morpholin-4-ylsulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-1-ium-2-amine Openeye Name: 5-morpholinosulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-1-ium-2-amine CAS Name: 5-(4-morpholinylsulfonyl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyridin-1-iumamine IUPAC Name: 5-morpholin-4-ylsulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]pyridin-1-ium-2-amine Traditional Name: (5-morpholinosulfonylpyridin-1-ium-2-yl)-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C21H30N4O3S+2 MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O3S/c26-29(27,25-12-14-28-15-13-25)19-8-9-21(22-16-19)23-17-20(24-10-4-5-11-24)18-6-2-1-3-7-18/h1-3,6-9,16,20H,4-5,10-15,17H2,(H,22,23)/p+2/t20-/m0/s1