3-[1-(2H-benzotriazol-5-ylcarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[1-(2H-benzotriazol-5-ylcarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[1-(2H-benzotriazole-5-carbonyl)-4-piperidyl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[1-[2H-benzotriazol-5-yl(oxo)methyl]-4-piperidinyl]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[1-(2H-benzotriazole-5-carbonyl)-4-piperidyl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C21H30N6O2/c1-2-25-11-13-26(14-12-25)20(28)6-3-16-7-9-27(10-8-16)21(29)17-4-5-18-19(15-17)23-24-22-18/h4-5,15-16H,2-3,6-14H2,1H3,(H,22,23,24)/p+1