phenyl-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanone

Systemtic Name: phenyl-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methanone Openeye Name: phenyl-[2-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone CAS Name: [2-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-phenylmethanone IUPAC Name: phenyl-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methanone Traditional Name: phenyl-[2-[4-(3-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=CSC=C2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

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