3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxy-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-4-methoxy-benzamide CAS Name: 3-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-4-methoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(3R,5S)-3,5-dimethylpiperidino]sulfonyl-4-methoxy-benzamide Formula: C27H38N3O4S+ MolecularWeight: 500.67332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4S/c1-20-15-21(2)18-30(17-20)35(32,33)26-16-23(9-10-25(26)34-3)27(31)28-24-11-13-29(14-12-24)19-22-7-5-4-6-8-22/h4-10,16,20-21,24H,11-15,17-19H2,1-3H3,(H,28,31)/p+1/t20-,21+