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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-32-22-11-7-20(8-12-22)24(27-15-3-2-4-16-27)19-26-25(29)21-9-13-23(14-10-21)33(30,31)28-17-5-6-18-28/h7-14,24H,2-6,15-19H2,1H3,(H,26,29)/p+1/t24-/m0/s1