(2R)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-(4-mesyl-1,4-diazepan-1-ium-1-yl)-2-phenyl-1-piperidino-ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC[NH+](CC1)C(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-26(24,25)22-14-8-13-20(15-16-22)18(17-9-4-2-5-10-17)19(23)21-11-6-3-7-12-21/h2,4-5,9-10,18H,3,6-8,11-16H2,1H3/p+1/t18-/m1/s1