2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C19H22N3O+ MolecularWeight: 308.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O/c1-15-6-2-3-7-16(15)14-21-10-12-22(13-11-21)19-20-17-8-4-5-9-18(17)23-19/h2-9H,10-14H2,1H3/p+1