phenyl-[2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanone

Systemtic Name: phenyl-[2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanone Openeye Name: phenyl-[2-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone CAS Name: [2-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-phenylmethanone IUPAC Name: phenyl-[2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone Traditional Name: phenyl-[2-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]methanone Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S/c26-22(18-7-2-1-3-8-18)20-10-4-5-11-21(20)23(27)25-14-12-24(13-15-25)17-19-9-6-16-28-19/h1-11,16H,12-15,17H2/p+1