tris(2-azanylethanoyl)-[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]azanium

Systemtic Name: tris(2-azanylethanoyl)-[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]azanium Openeye Name: tris(2-aminoacetyl)-[4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]ammonium CAS Name: tris(2-amino-1-oxoethyl)-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]ammonium IUPAC Name: tris(2-aminoacetyl)-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]azanium Traditional Name: triglycyl-[4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]ammonium Formula: C16H21N4O5+ MolecularWeight: 349.36174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)[N+](C(=O)CN)(C(=O)CN)C(=O)CN

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)[N+](C(=O)CN)(C(=O)CN)C(=O)CN

InChI

InChI=1S/C16H21N4O5/c1-25-16(24)7-4-11-2-5-12(6-3-11)20(13(21)8-17,14(22)9-18)15(23)10-19/h2-7H,8-10,17-19H2,1H3/q+1/b7-4+