4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-(phenylsulfonyl)piperidin-4-ol

Systemtic Name: 4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-(phenylsulfonyl)piperidin-4-ol Openeye Name: 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-4-ol CAS Name: 1-(benzenesulfonyl)-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-piperidinol IUPAC Name: 1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-4-ol Traditional Name: 1-besyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]piperidin-4-ol Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c26-22(19-23-15-17-24(18-16-23)20-7-3-1-4-8-20)11-13-25(14-12-22)29(27,28)21-9-5-2-6-10-21/h1-10,26H,11-19H2/p+1