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

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC[C@@H]3C

InChI

InChI=1S/C22H35N3O3S/c1-18-9-3-5-14-24(18)15-8-13-23-22(26)20-11-7-12-21(17-20)29(27,28)25-16-6-4-10-19(25)2/h7,11-12,17-19H,3-6,8-10,13-16H2,1-2H3,(H,23,26)/p+1/t18-,19-/m0/s1