3-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]propyl-triethyl-azanium

Systemtic Name: 3-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]propyl-triethyl-azanium Openeye Name: 3-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]propyl-triethyl-ammonium CAS Name: 3-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-2-quinolin-1-iumyl]propyl-triethylammonium IUPAC Name: 3-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]propyl-triethylazanium Traditional Name: 3-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]propyl-triethyl-ammonium Formula: C28H35N3O+2 MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCC1=[N+](C2=CC=CC=C2C=C1)C=CC=C3NC4=CC=CC=C4O3

Isomeric SMILES

CC[N+](CC)(CC)CCCC1=[N+](C2=CC=CC=C2C=C1)/C=C/C=C\3/NC4=CC=CC=C4O3

InChI

InChI=1S/C28H35N3O/c1-4-31(5-2,6-3)22-12-14-24-20-19-23-13-7-9-16-26(23)30(24)21-11-18-28-29-25-15-8-10-17-27(25)32-28/h7-11,13,15-21,29H,4-6,12,14,22H2,1-3H3/q+2/b21-11+,28-18-