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

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-benzylpiperidin-1-ium-4-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(1-benzylpiperidin-1-ium-4-yl)methanone Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(4-besylpiperazino)methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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