N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-methylsulfonyl-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-methylsulfonyl-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-methylsulfonylbenzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H26N2O3S/c1-14-6-3-4-12-19(14)13-5-11-18-17(20)15-7-9-16(10-8-15)23(2,21)22/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)/p+1/t14-/m0/s1