1-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazole

Systemtic Name: 1-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazole Openeye Name: 1-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole CAS Name: 1-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazole Traditional Name: 1-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]benzimidazole Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H22N4O2S/c27-29(28,20-10-9-18-5-1-2-6-19(18)15-20)26-13-11-24(12-14-26)17-25-16-23-21-7-3-4-8-22(21)25/h1-10,15-16H,11-14,17H2/p+1