[3-[bis(dimethylamino)methyl]benzotriazol-3-ium-1-yl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate

Systemtic Name: [3-[bis(dimethylamino)methyl]benzotriazol-3-ium-1-yl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate Openeye Name: [3-[bis(dimethylamino)methyl]benzotriazol-3-ium-1-yl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate CAS Name: 2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methylpentanoic acid [3-[bis(dimethylamino)methyl]-1-benzotriazol-3-iumyl] ester IUPAC Name: [3-[bis(dimethylamino)methyl]benzotriazol-3-ium-1-yl] 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoate Traditional Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-valeric acid [3-[bis(dimethylamino)methyl]benzotriazol-3-ium-1-yl] ester Formula: C32H39N6O4+ MolecularWeight: 571.68986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)ON1C2=CC=CC=C2[N+](=N1)C(N(C)C)N(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)CC(C(=O)ON1C2=CC=CC=C2[N+](=N1)C(N(C)C)N(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C32H38N6O4/c1-21(2)19-27(30(39)42-38-29-18-12-11-17-28(29)37(34-38)32(35(3)4)36(5)6)33-31(40)41-20-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h7-18,21,26-27,32H,19-20H2,1-6H3/p+1