2-[(E)-2-ethoxybut-1-enyl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium perchlorate

Systemtic Name: 2-[(E)-2-ethoxybut-1-enyl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium perchlorate Openeye Name: 2-[(E)-2-ethoxybut-1-enyl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium perchlorate CAS Name: 2-[(E)-2-ethoxybut-1-enyl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium perchlorate IUPAC Name: 2-[(E)-2-ethoxybut-1-enyl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium perchlorate Traditional Name: 2-[(E)-2-ethoxybut-1-enyl]-5-methoxy-3-methyl-1,3-benzoxazol-3-ium perchlorate Formula: C15H20ClNO7 MolecularWeight: 361.7748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)OC)C)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)OC)C)/OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H20NO3.ClHO4/c1-5-11(18-6-2)10-15-16(3)13-9-12(17-4)7-8-14(13)19-15;2-1(3,4)5/h7-10H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1/b11-10+;