3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]pyridin-1-yl]propyl-trimethyl-azanium

Systemtic Name: 3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]pyridin-1-yl]propyl-trimethyl-azanium Openeye Name: 3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1-pyridyl]propyl-trimethyl-ammonium CAS Name: 3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1-pyridinyl]propyl-trimethylammonium IUPAC Name: 3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]pyridin-1-yl]propyl-trimethylazanium Traditional Name: 3-[4-[(E)-3-(2,3-dihydro-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1-pyridyl]propyl-trimethyl-ammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C=CC(=CC=CC2[NH2+]C3=CC=CC=C3O2)C=C1

Isomeric SMILES

C[N+](C)(C)CCCN1C=CC(=C/C=C/C2[NH2+]C3=CC=CC=C3O2)C=C1

InChI

InChI=1S/C21H28N3O/c1-24(2,3)17-7-14-23-15-12-18(13-16-23)8-6-11-21-22-19-9-4-5-10-20(19)25-21/h4-6,8-13,15-16,21-22H,7,14,17H2,1-3H3/q+1/p+1/b11-6+