N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-piperidinosulfonyl-benzamide Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-22-10-8-20(9-11-22)24(27-14-16-33-17-15-27)19-26-25(29)21-6-5-7-23(18-21)34(30,31)28-12-3-2-4-13-28/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,26,29)/p+1/t24-/m0/s1