3-[(3R)-1-[2-(benzotriazol-2-yl)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[2-(benzotriazol-2-yl)ethanoyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[2-(benzotriazol-2-yl)acetyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[2-(2-benzotriazolyl)-1-oxoethyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[2-(benzotriazol-2-yl)acetyl]piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[2-(benzotriazol-2-yl)acetyl]-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H30N6O2/c1-24-11-13-25(14-12-24)20(28)9-8-17-5-4-10-26(15-17)21(29)16-27-22-18-6-2-3-7-19(18)23-27/h2-3,6-7,17H,4-5,8-16H2,1H3/p+1/t17-/m1/s1