N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[NH+]4CCCC4

InChI

InChI=1S/C26H35N3O4S/c1-33-23-11-9-22(10-12-23)25(28-16-2-3-17-28)20-27-26(30)15-8-21-6-13-24(14-7-21)34(31,32)29-18-4-5-19-29/h6-7,9-14,25H,2-5,8,15-20H2,1H3,(H,27,30)/p+1/t25-/m0/s1