[2-[[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H29N5O/c1-3-30(4-2)19-23-10-6-5-9-22(23)17-27-26(32)21-15-13-20(14-16-21)18-31-25-12-8-7-11-24(25)28-29-31/h5-16H,3-4,17-19H2,1-2H3,(H,27,32)/p+1