3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c28-24(25-22-12-13-26(19-22)18-21-4-2-1-3-5-21)11-8-20-6-9-23(10-7-20)32(29,30)27-14-16-31-17-15-27/h1-7,9-10,22H,8,11-19H2,(H,25,28)/p+1/t22-/m0/s1