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

Systemtic Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C21H26N3O4+ MolecularWeight: 384.44884

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-25-18-9-8-15(19(26-2)20(18)27-3)14-23-10-12-24(13-11-23)21-22-16-6-4-5-7-17(16)28-21/h4-9H,10-14H2,1-3H3/p+1