[4-(phenylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [(3S)-1-(benzenesulfonyl)-3-piperidyl]-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-1-(benzenesulfonyl)-3-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(3S)-1-(benzenesulfonyl)piperidin-3-yl]-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-1-besyl-3-piperidyl]methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(25-16-14-24(15-17-25)18-20-8-3-1-4-9-20)21-10-7-13-26(19-21)30(28,29)22-11-5-2-6-12-22/h1-6,8-9,11-12,21H,7,10,13-19H2/p+1/t21-/m0/s1