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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C20H23N3O/c1-15-6-5-8-18(16(15)2)23-12-10-22(11-13-23)14-20-21-17-7-3-4-9-19(17)24-20/h3-9H,10-14H2,1-2H3/p+1