N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(20-10-12-21(13-11-20)30(28,29)26-16-6-7-17-26)24-18-22(25-14-4-5-15-25)19-8-2-1-3-9-19/h1-3,8-13,22H,4-7,14-18H2,(H,24,27)/p+1/t22-/m0/s1