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

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N5O/c32-26(27-17-20-7-9-21(10-8-20)18-30-15-3-4-16-30)23-13-11-22(12-14-23)19-31-25-6-2-1-5-24(25)28-29-31/h1-2,5-14H,3-4,15-19H2,(H,27,32)/p+1