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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-(4-veratrylpiperazin-4-ium-1-yl)-1,3-benzoxazole Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C20H23N3O3/c1-24-18-8-7-15(13-19(18)25-2)14-22-9-11-23(12-10-22)20-21-16-5-3-4-6-17(16)26-20/h3-8,13H,9-12,14H2,1-2H3/p+1