1-naphthalen-2-ylsulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C26H33N3O2S+2 MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O2S/c30-32(31,26-11-10-23-8-4-5-9-24(23)20-26)29-18-16-28(17-19-29)25-12-14-27(15-13-25)21-22-6-2-1-3-7-22/h1-11,20,25H,12-19,21H2/p+2