2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Openeye Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-thiazole CAS Name: 2-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-4-phenylthiazole IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Traditional Name: 2-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]-4-phenyl-thiazole Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-24(26)18-8-6-16(7-9-18)14-22-10-12-23(13-11-22)20-21-19(15-27-20)17-4-2-1-3-5-17/h1-9,15H,10-14H2/p+1