1-[4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(1,3-benzoxazol-2-ylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O2/c1-15(24)16-6-8-17(9-7-16)23-12-10-22(11-13-23)14-20-21-18-4-2-3-5-19(18)25-20/h2-9H,10-14H2,1H3/p+1