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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=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)19-20-7-3-1-4-8-20)21-11-13-26(14-12-21)30(28,29)22-9-5-2-6-10-22/h1-10,21H,11-19H2/p+1