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

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N[C@@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(25-22-14-17-26(19-22)18-21-6-2-1-3-7-21)13-10-20-8-11-23(12-9-20)31(29,30)27-15-4-5-16-27/h1-3,6-9,11-12,22H,4-5,10,13-19H2,(H,25,28)/p+1/t22-/m1/s1