4-methyl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-methyl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-methyl-3-(1-piperidylsulfonyl)-N-(1-propylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)-N-(1-propyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-methyl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-methyl-3-piperidinosulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-3-11-23-14-9-19(10-15-23)22-21(25)18-8-7-17(2)20(16-18)28(26,27)24-12-5-4-6-13-24/h7-8,16,19H,3-6,9-15H2,1-2H3,(H,22,25)/p+1