3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-[4-(1-piperidylsulfonyl)phenyl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(4-piperidinosulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-2-14-24-17-12-20(13-18-24)23-22(26)11-8-19-6-9-21(10-7-19)29(27,28)25-15-4-3-5-16-25/h6-7,9-10,20H,2-5,8,11-18H2,1H3,(H,23,26)/p+1