3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]-N-(1-propylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]-N-(1-propyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1-propylpiperidin-1-ium-4-yl)benzamide Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonyl-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(=CC=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC[C@@H]3C

InChI

InChI=1S/C21H33N3O3S/c1-3-12-23-14-10-19(11-15-23)22-21(25)18-8-6-9-20(16-18)28(26,27)24-13-5-4-7-17(24)2/h6,8-9,16-17,19H,3-5,7,10-15H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1