2-[(1S)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[(1S)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[(1S)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[(1S)-1-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[(1S)-1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[(1S)-1-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzothiazole Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2S/c1-15(20-21-18-4-2-3-5-19(18)27-20)23-12-10-22(11-13-23)14-16-6-8-17(9-7-16)24(25)26/h2-9,15H,10-14H2,1H3/p+1/t15-/m0/s1