[3-methyl-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate

Systemtic Name: [3-methyl-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate Openeye Name: [3-methyl-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate CAS Name: benzoic acid [3-methyl-4-[5-(4-morpholin-4-iumyl)penta-1,3-diynyl]phenyl] ester IUPAC Name: [3-methyl-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate Traditional Name: benzoic acid [3-methyl-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] ester Formula: C23H22NO3+ MolecularWeight: 360.42568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)C#CC#CC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2)C#CC#CC[NH+]3CCOCC3

InChI

InChI=1S/C23H21NO3/c1-19-18-22(27-23(25)21-9-4-2-5-10-21)12-11-20(19)8-6-3-7-13-24-14-16-26-17-15-24/h2,4-5,9-12,18H,13-17H2,1H3/p+1