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

Systemtic Name: 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C25H33ClN3O3S+ MolecularWeight: 491.06582

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H32ClN3O3S/c1-19-6-5-13-29(17-19)33(31,32)24-16-21(9-10-23(24)26)25(30)27-22-11-14-28(15-12-22)18-20-7-3-2-4-8-20/h2-4,7-10,16,19,22H,5-6,11-15,17-18H2,1H3,(H,27,30)/p+1/t19-/m0/s1