N-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C27H26N3O2S+ MolecularWeight: 456.57924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H25N3O2S/c31-26(25-13-6-18-33-25)28-24-12-4-3-11-23(24)27(32)30-16-14-29(15-17-30)19-21-9-5-8-20-7-1-2-10-22(20)21/h1-13,18H,14-17,19H2,(H,28,31)/p+1