5-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]pentyl-trimethyl-azanium

Systemtic Name: 5-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]pentyl-trimethyl-azanium Openeye Name: 5-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]pentyl-trimethyl-ammonium CAS Name: 5-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-2-quinolin-1-iumyl]pentyl-trimethylammonium IUPAC Name: 5-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]pentyl-trimethylazanium Traditional Name: 5-[1-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-2-yl]pentyl-trimethyl-ammonium Formula: C27H33N3O+2 MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCC1=[N+](C2=CC=CC=C2C=C1)C=CC=C3NC4=CC=CC=C4O3

Isomeric SMILES

C[N+](C)(C)CCCCCC1=[N+](C2=CC=CC=C2C=C1)/C=C/C=C\3/NC4=CC=CC=C4O3

InChI

InChI=1S/C27H33N3O/c1-30(2,3)21-10-4-5-13-23-19-18-22-12-6-8-15-25(22)29(23)20-11-17-27-28-24-14-7-9-16-26(24)31-27/h6-9,11-12,14-20,28H,4-5,10,13,21H2,1-3H3/q+2/b20-11+,27-17-