N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]naphthalene-2-sulfonamide

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]naphthalene-2-sulfonamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]naphthalene-2-sulfonamide CAS Name: N-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-naphthalenesulfonamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]naphthalene-2-sulfonamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]naphthalene-2-sulfonamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O2S/c26-28(27,20-9-8-18-5-1-2-6-19(18)17-20)23-11-12-24-13-15-25(16-14-24)21-7-3-4-10-22-21/h1-10,17,23H,11-16H2/p+1