1-naphthalen-2-ylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-(3-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Formula: C20H23N3O2S+2 MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C[NH+]=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21N3O2S/c24-26(25,20-8-7-18-5-1-2-6-19(18)14-20)23-12-10-22(11-13-23)16-17-4-3-9-21-15-17/h1-9,14-15H,10-13,16H2/p+2