1,3-benzoxazol-2-ylmethyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzoxazol-2-ylmethyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzoxazol-2-ylmethyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzoxazol-2-ylmethyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzoxazol-2-ylmethyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzoxazol-2-ylmethyl-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C21H25N3O4/c1-4-26-18-11-10-15(12-19(18)27-5-2)22-20(25)13-24(3)14-21-23-16-8-6-7-9-17(16)28-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,25)/p+1