4-(benzotriazol-1-ylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C26H29N6O+ MolecularWeight: 441.54806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O/c1-2-30-15-17-31(18-16-30)23-13-11-22(12-14-23)27-26(33)21-9-7-20(8-10-21)19-32-25-6-4-3-5-24(25)28-29-32/h3-14H,2,15-19H2,1H3,(H,27,33)/p+1