2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-16-6-5-11-21(14-16)15-19(23)20-17-7-9-18(10-8-17)26(24,25)22-12-3-2-4-13-22/h7-10,16H,2-6,11-15H2,1H3,(H,20,23)/p+1/t16-/m0/s1