N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-[(4-methoxyphenyl)sulfonylamino]propionamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-30-20-6-8-21(9-7-20)31(28,29)24-13-10-22(27)25-19-11-14-26(15-12-19)16-17-2-4-18(23)5-3-17/h2-9,19,24H,10-16H2,1H3,(H,25,27)/p+1