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

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-piperidinosulfonyl-benzamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18-9-3-6-13-23(18)14-8-12-22-21(25)19-10-7-11-20(17-19)28(26,27)24-15-4-2-5-16-24/h7,10-11,17-18H,2-6,8-9,12-16H2,1H3,(H,22,25)/p+1/t18-/m0/s1