[4-(phenylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(phenylsulfonyl)piperidin-2-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[(2R)-1-(phenylsulfonyl)piperidin-2-yl]methanone Openeye Name: [(2R)-1-(benzenesulfonyl)-2-piperidyl]-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [(2R)-1-(benzenesulfonyl)-2-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2R)-1-(benzenesulfonyl)piperidin-2-yl]-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(2R)-1-besyl-2-piperidyl]methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-9-3-1-4-10-20)22-13-7-8-14-26(22)30(28,29)21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2/p+1/t22-/m1/s1