2H-benzotriazol-5-yl-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 2H-benzotriazol-5-yl-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 2H-benzotriazol-5-yl-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2H-benzotriazol-5-yl-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 2H-benzotriazol-5-yl-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 2H-benzotriazol-5-yl-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C19H21N5O2/c25-19(15-6-7-17-18(14-15)21-22-20-17)24-10-8-23(9-11-24)12-13-26-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,20,21,22)/p+1