6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C20H24N4O2S+2 MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=[NH+]C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=[NH+]C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H22N4O2S/c21-27(25,26)18-8-9-20(22-14-18)24-12-10-23(11-13-24)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2,(H2,21,25,26)/p+2