2H-benzotriazol-5-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-(4-benzyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: 2H-benzotriazol-5-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: 2H-benzotriazol-5-yl-(4-benzyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: 2H-benzotriazol-5-yl-(4-benzyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC3=NNN=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC3=NNN=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O/c25-19(16-7-8-17-18(13-16)21-22-20-17)24-10-4-9-23(11-12-24)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,20,21,22)/p+1