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

Systemtic Name: 4-chloranyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: 4-chloro-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-chloro-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-chloro-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: 4-chloro-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C22H35ClN3O3S+ MolecularWeight: 457.0496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C)(C)[NH+]3CCCCC3)Cl

InChI

InChI=1S/C22H34ClN3O3S/c1-17-8-7-13-26(15-17)30(28,29)20-14-18(9-10-19(20)23)21(27)24-16-22(2,3)25-11-5-4-6-12-25/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,24,27)/p+1/t17-/m0/s1