2-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N3O3S/c23-15-18-6-2-4-8-22(18)29(27,28)25-13-11-24(12-14-25)16-20-19-7-3-1-5-17(19)9-10-21(20)26/h1-10,26H,11-14,16H2/p+1