2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+]4=C(C5=CC=CC=C5C4)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+]4=C(C5=CC=CC=C5C4)N

InChI

InChI=1S/C22H26N4O3S/c23-22-19-6-2-1-5-17(19)16-26(22)21-15-18(7-8-20(21)24-9-3-4-10-24)30(27,28)25-11-13-29-14-12-25/h1-2,5-8,15,23H,3-4,9-14,16H2/p+1