4-(benzotriazol-1-ylmethyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]benzamide Formula: C25H28N7O+ MolecularWeight: 442.53612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H27N7O/c1-30-12-14-31(15-13-30)24-11-8-20(16-26-24)17-27-25(33)21-9-6-19(7-10-21)18-32-23-5-3-2-4-22(23)28-29-32/h2-11,16H,12-15,17-18H2,1H3,(H,27,33)/p+1