2-[1-(4-methylsulfonylphenyl)-1-[1-(3-phenylpiperidin-4-yl)propyl]piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[1-(4-methylsulfonylphenyl)-1-[1-(3-phenylpiperidin-4-yl)propyl]piperidin-1-ium-4-yl]ethanamide Openeye Name: 2-[1-(4-methylsulfonylphenyl)-1-[1-(3-phenyl-4-piperidyl)propyl]piperidin-1-ium-4-yl]acetamide CAS Name: 2-[1-(4-methylsulfonylphenyl)-1-[1-(3-phenyl-4-piperidinyl)propyl]-4-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(4-methylsulfonylphenyl)-1-[1-(3-phenylpiperidin-4-yl)propyl]piperidin-1-ium-4-yl]acetamide Traditional Name: 2-[1-(4-mesylphenyl)-1-[1-(3-phenyl-4-piperidyl)propyl]piperidin-1-ium-4-yl]acetamide Formula: C28H40N3O3S+ MolecularWeight: 498.7005

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCNCC1C2=CC=CC=C2)[N+]3(CCC(CC3)CC(=O)N)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC(C1CCNCC1C2=CC=CC=C2)[N+]3(CCC(CC3)CC(=O)N)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H39N3O3S/c1-3-27(25-13-16-30-20-26(25)22-7-5-4-6-8-22)31(17-14-21(15-18-31)19-28(29)32)23-9-11-24(12-10-23)35(2,33)34/h4-12,21,25-27,30H,3,13-20H2,1-2H3,(H-,29,32)/p+1