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

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: 4-(mesylmethyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3S/c1-15-6-3-4-12-20(15)13-5-11-19-18(21)17-9-7-16(8-10-17)14-24(2,22)23/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/p+1/t15-/m0/s1