4-(benzotriazol-1-ylmethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N5O2/c32-26(27-17-22-5-1-2-6-23(22)19-30-13-15-33-16-14-30)21-11-9-20(10-12-21)18-31-25-8-4-3-7-24(25)28-29-31/h1-12H,13-19H2,(H,27,32)/p+1