1-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]benzotriazole

Systemtic Name: 1-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]benzotriazole Openeye Name: 1-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]benzotriazole CAS Name: 1-[(1S)-2-methyl-1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propyl]benzotriazole IUPAC Name: 1-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]benzotriazole Traditional Name: 1-[(1S)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]benzotriazole Formula: C20H25N6O2+ MolecularWeight: 381.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C([NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)[C@@H]([NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H24N6O2/c1-15(2)20(25-19-6-4-3-5-18(19)21-22-25)24-13-11-23(12-14-24)16-7-9-17(10-8-16)26(27)28/h3-10,15,20H,11-14H2,1-2H3/p+1/t20-/m0/s1