(2R)-2-(benzotriazol-1-yloxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(benzotriazol-1-yloxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2R)-2-(1-benzotriazolyloxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)ON3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)ON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H23N5O2/c1-16(27-25-19-10-6-5-9-18(19)21-22-25)20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/p+1/t16-/m1/s1