2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C(=O)N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2S/c23-21(28)19-8-13-29-22(19)24-20(27)15-26-11-9-25(10-12-26)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-8,13H,9-12,14-15H2,(H2,23,28)(H,24,27)/p+1